system_id
stringlengths
17
57
split
stringclasses
1 value
entry_pdb_id
stringlengths
4
4
entry_determination_method
stringclasses
8 values
entry_resolution
float32
0.64
37
is_experimental
bool
1 class
protein_sequence
stringlengths
2
5.16k
protein_chain_id
stringclasses
455 values
protein_instance_chain
stringlengths
3
5
ligand_smiles
stringlengths
2
604
ligand_ccd_code
stringlengths
1
135
ligand_instance_chain
stringlengths
3
5
ligand_is_proper
bool
2 classes
ligand_is_covalent
bool
2 classes
ligand_molecular_weight
float32
7.02
3.45k
system_pass_validation_criteria
bool
2 classes
system_num_protein_chains
int32
1
5
system_num_ligand_chains
int32
1
5
8wux__1__1.E__1.CA_1.DA_1.EA
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
E
1.E
[K+]
K
1.DA
false
false
38.963158
false
1
3
8wux__1__1.E__1.CA_1.DA_1.EA
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
E
1.E
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O
ANP
1.EA
true
false
506.011719
false
1
3
8wux__1__1.T__1.BB_1.CB_1.DB
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
T
1.T
[Mg+2]
MG
1.BB
false
false
23.983944
false
1
3
8wux__1__1.T__1.BB_1.CB_1.DB
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
T
1.T
[K+]
K
1.CB
false
false
38.963158
false
1
3
8wux__1__1.T__1.BB_1.CB_1.DB
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
T
1.T
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O
ANP
1.DB
true
false
506.011719
false
1
3
8wux__1__1.M__1.PA_1.QA
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
M
1.M
[Mg+2]
MG
1.PA
false
false
23.983944
false
1
2
8wux__1__1.M__1.PA_1.QA
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
M
1.M
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O
ANP
1.QA
true
false
506.011719
false
1
2
8wux__1__1.Q__1.WA_1.XA_1.YA
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
Q
1.Q
[Mg+2]
MG
1.WA
false
false
23.983944
false
1
3
8wux__1__1.Q__1.WA_1.XA_1.YA
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
Q
1.Q
[K+]
K
1.XA
false
false
38.963158
false
1
3
8wux__1__1.Q__1.WA_1.XA_1.YA
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
Q
1.Q
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O
ANP
1.YA
true
false
506.011719
false
1
3
8wux__1__1.P__1.UA_1.VA
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
P
1.P
[Mg+2]
MG
1.UA
false
false
23.983944
false
1
2
8wux__1__1.P__1.UA_1.VA
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
P
1.P
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O
ANP
1.VA
true
false
506.011719
false
1
2
8wuy__1__1.A__1.C
train
8wuy
X-RAY DIFFRACTION
2.6
true
SKPKQPPDASPANLLTSLVRAHLDSGPSTAKLDYSKFQELVLPHFGKEDAGDVQQFYDLLSGSLEVIRKWAEKIPGFAELSPADQDLLLESAFLELFILRLAYRSKPGEGKLIFCSGLVLHRLQCARGFGDWIDSILAFSRSLHSLLVDVPAFACLSALVLITDRHGLQEPRRVEELQNRIASCLKEHVAAVAGEPQPASCLSRLLGKLPELRTLCTQGLQRIFYLKLEDLVPPPPIIDKIFMDTLPF
A
1.A
CCCCCCCCN(C)C(=O)c1cc(O)c(O)c(O)c1
XBF
1.C
true
false
295.178345
false
1
1
8wux__1__1.N__1.RA_1.SA_1.TA
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
N
1.N
[Mg+2]
MG
1.RA
false
false
23.983944
false
1
3
8wux__1__1.N__1.RA_1.SA_1.TA
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
N
1.N
[K+]
K
1.SA
false
false
38.963158
false
1
3
8wux__1__1.N__1.RA_1.SA_1.TA
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
N
1.N
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O
ANP
1.TA
true
false
506.011719
false
1
3
8wux__1__1.S__1.AB_1.ZA
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
S
1.S
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O
ANP
1.AB
true
false
506.011719
false
1
2
8wux__1__1.S__1.AB_1.ZA
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
S
1.S
[Mg+2]
MG
1.ZA
false
false
23.983944
false
1
2
8wxy__1__1.B__1.F
train
8wxy
X-RAY DIFFRACTION
2.87
true
MKKGHHHHHHLVPRGSNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
B
1.B
Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)N1CCOCC1
XGN
1.F
true
false
523.24823
false
1
1
8wxe__1__1.B_1.F_1.G_1.H__1.I
train
8wxe
ELECTRON MICROSCOPY
null
true
MKWKALFTAAILQAQLPITEAQSFGLLDPKLCYLLDGILFIYGVILTALFLRVKFSRSADAPAYQQGQNQLYNELNLGRREEYDVLDKRRGRDPEMGGKPQRRKNPQEGLYNELQKDKMAEAYSEIGMKGERRRGKGHDGLYQGLSTATKDTYDALHMQALPPRAAAWSHPQFEKGGGSGGGSGGSAWSHPQFEK
B
1.B
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
CLR
1.I
true
false
386.354858
false
4
1
8wxe__1__1.B_1.F_1.G_1.H__1.I
train
8wxe
ELECTRON MICROSCOPY
null
true
MEQGKGLAVLILAIILLQGTLAQSIKGNHLVKVYDYQEDGSVLLTCDAEAKNITWFKDGKMIGFLTEDKKKWNLGSNAKDPRGMYQCKGSQNKSKPLQVYYRMCQNCIELNAATISGFLFAEIVSIFVLAVGVYFIAGQDGVRQSRASDKQTLLPNDQLYQPLKDREDDQYSHLQGNQLRRN
F
1.F
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
CLR
1.I
true
false
386.354858
false
4
1
8wxe__1__1.B_1.F_1.G_1.H__1.I
train
8wxe
ELECTRON MICROSCOPY
null
true
MDMRVPAQLLGLLLLWLSGARCMDYKDDDDKGGSETGAQKVTQAQSSVSMPVRKAVTLNCLYETSWWSYYIFWYKQLPSKEMIFLIRQGSDEQNAKSGRYSVNFKKAAKSVALTISALQLEDSAKYFCALGDPGGLNTDKLIFGKGTRVTVEPRSQPHTKPSVFVMKNGTNVACLVKEFYPKDIRINLVSSKKITEFDPAIVISPSGKYNAVKLGKYEDSNSVTCSVQHDNKTVHSTDFEVKTDSTDHVKPKETENTKQPSKSCHKPKAIVHTEKVNMMSLTVLGLRMLFAKTVAVNFLLTAKLFFL
G
1.G
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
CLR
1.I
true
false
386.354858
false
4
1
8wxe__1__1.B_1.F_1.G_1.H__1.I
train
8wxe
ELECTRON MICROSCOPY
null
true
MDMRVPAQLLGLLLLWLSGARCMDYKDDDDKGGSETGSSNLEGGTKSVTRPTRSSAEITCDLTVINAFYIHWYLHQEGKAPQRLLYYDVSNSKDVLESGLSPGKYETHTPRRWSWILILHNLIENDSGVYYCATWDRGNPKTHYYKKLFGSGTTLVVTDKQLDADVSPKPTIFLPSIAETKLQKAGTYLCLLEKFFPDVIKIHWQEKKSNTILGSQEGNTMKTNDTYMKFSWLTVPEKSLDKEHRCIVRHENNKNGVDQEIIFPPIKTDVITMDPKDNCSKDANDTLLLQLTNTSAYYMYLLLLLKSVVYFAIITCCLLR...
H
1.H
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
CLR
1.I
true
false
386.354858
false
4
1
8wwy__1__1.A__1.E
train
8wwy
X-RAY DIFFRACTION
1.79
true
MSTFEDADTEETVTCLQMTIYHPGQQSGIFKSIRFSSKEKFPSIEVVKFGRNSNMCQYTFQDKQVSRIQFVLQPFKQFNSSVLSFEIKNMSKKTSLMVDNQELGYLNKMDLPYKCMLRFGEYQFLLQKEDGESVESFETQFIMSSRPLLQ
A
1.A
C[C@@H](O)CC[C@@H](C)O
HX2
1.E
true
false
118.09938
false
1
1
8wwo__2__1.B_1.C__1.G_1.H
train
8wwo
X-RAY DIFFRACTION
2.2
true
MEAFEISDFKEHAKKKSMWAGALNKVTISGLMGVFTEDEDLMALPIHRDHCPALLKIFDEIIVNATDHERACHNKTKKVTYIKISFDKGVFSCENDGPGIPIAKHEQASLIAKRDVYVPEVASCHFLAGTNINKAKDCIKGGTNGVGLKLAMVHSQWAILTTADGAQKYVQHINQRLDIIEPPTITPSREMFTRIELMPVYQELGYAEPLSETEQADLSAWIYLRACQCAAYVGKGTTIYYNDKPCRTGSVMALAKMYTLLSAPNSTIHTATIKADAKPYSLHPLQVAAVVSPKFKKFEHVSVINGVNCVKGEHVTFLKK...
B
1.B
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O
ANP
1.G
true
false
506.011719
true
2
2
8wwo__2__1.B_1.C__1.G_1.H
train
8wwo
X-RAY DIFFRACTION
2.2
true
MEAFEISDFKEHAKKKSMWAGALNKVTISGLMGVFTEDEDLMALPIHRDHCPALLKIFDEIIVNATDHERACHNKTKKVTYIKISFDKGVFSCENDGPGIPIAKHEQASLIAKRDVYVPEVASCHFLAGTNINKAKDCIKGGTNGVGLKLAMVHSQWAILTTADGAQKYVQHINQRLDIIEPPTITPSREMFTRIELMPVYQELGYAEPLSETEQADLSAWIYLRACQCAAYVGKGTTIYYNDKPCRTGSVMALAKMYTLLSAPNSTIHTATIKADAKPYSLHPLQVAAVVSPKFKKFEHVSVINGVNCVKGEHVTFLKK...
B
1.B
[Mg+2]
MG
1.H
false
false
23.983944
true
2
2
8wxy__1__2.A__2.D
train
8wxy
X-RAY DIFFRACTION
2.87
true
MKKGHHHHHHLVPRGSNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
A
2.A
Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)N1CCOCC1
XGN
2.D
true
false
523.24823
false
1
1
8wxy__1__1.C__1.G
train
8wxy
X-RAY DIFFRACTION
2.87
true
MKKGHHHHHHLVPRGSNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
C
1.C
Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)N1CCOCC1
XGN
1.G
true
false
523.24823
false
1
1
8wwy__2__1.C__1.F
train
8wwy
X-RAY DIFFRACTION
1.79
true
MSTFEDADTEETVTCLQMTIYHPGQQSGIFKSIRFSSKEKFPSIEVVKFGRNSNMCQYTFQDKQVSRIQFVLQPFKQFNSSVLSFEIKNMSKKTSLMVDNQELGYLNKMDLPYKCMLRFGEYQFLLQKEDGESVESFETQFIMSSRPLLQ
C
1.C
C[C@@H](O)CC[C@@H](C)O
HX2
1.F
true
false
118.09938
false
1
1
8wwo__2__1.B_1.C__1.I_1.J
train
8wwo
X-RAY DIFFRACTION
2.2
true
MEAFEISDFKEHAKKKSMWAGALNKVTISGLMGVFTEDEDLMALPIHRDHCPALLKIFDEIIVNATDHERACHNKTKKVTYIKISFDKGVFSCENDGPGIPIAKHEQASLIAKRDVYVPEVASCHFLAGTNINKAKDCIKGGTNGVGLKLAMVHSQWAILTTADGAQKYVQHINQRLDIIEPPTITPSREMFTRIELMPVYQELGYAEPLSETEQADLSAWIYLRACQCAAYVGKGTTIYYNDKPCRTGSVMALAKMYTLLSAPNSTIHTATIKADAKPYSLHPLQVAAVVSPKFKKFEHVSVINGVNCVKGEHVTFLKK...
B
1.B
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O
ANP
1.I
true
false
506.011719
true
2
2
8wwo__2__1.B_1.C__1.I_1.J
train
8wwo
X-RAY DIFFRACTION
2.2
true
MEAFEISDFKEHAKKKSMWAGALNKVTISGLMGVFTEDEDLMALPIHRDHCPALLKIFDEIIVNATDHERACHNKTKKVTYIKISFDKGVFSCENDGPGIPIAKHEQASLIAKRDVYVPEVASCHFLAGTNINKAKDCIKGGTNGVGLKLAMVHSQWAILTTADGAQKYVQHINQRLDIIEPPTITPSREMFTRIELMPVYQELGYAEPLSETEQADLSAWIYLRACQCAAYVGKGTTIYYNDKPCRTGSVMALAKMYTLLSAPNSTIHTATIKADAKPYSLHPLQVAAVVSPKFKKFEHVSVINGVNCVKGEHVTFLKK...
C
1.C
[Mg+2]
MG
1.J
false
false
23.983944
true
2
2
8wwo__1__1.A_2.D__1.E_1.F
train
8wwo
X-RAY DIFFRACTION
2.2
true
MEAFEISDFKEHAKKKSMWAGALNKVTISGLMGVFTEDEDLMALPIHRDHCPALLKIFDEIIVNATDHERACHNKTKKVTYIKISFDKGVFSCENDGPGIPIAKHEQASLIAKRDVYVPEVASCHFLAGTNINKAKDCIKGGTNGVGLKLAMVHSQWAILTTADGAQKYVQHINQRLDIIEPPTITPSREMFTRIELMPVYQELGYAEPLSETEQADLSAWIYLRACQCAAYVGKGTTIYYNDKPCRTGSVMALAKMYTLLSAPNSTIHTATIKADAKPYSLHPLQVAAVVSPKFKKFEHVSVINGVNCVKGEHVTFLKK...
A
1.A
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O
ANP
1.E
true
false
506.011719
true
2
2
8wwo__1__1.A_2.D__1.E_1.F
train
8wwo
X-RAY DIFFRACTION
2.2
true
MEAFEISDFKEHAKKKSMWAGALNKVTISGLMGVFTEDEDLMALPIHRDHCPALLKIFDEIIVNATDHERACHNKTKKVTYIKISFDKGVFSCENDGPGIPIAKHEQASLIAKRDVYVPEVASCHFLAGTNINKAKDCIKGGTNGVGLKLAMVHSQWAILTTADGAQKYVQHINQRLDIIEPPTITPSREMFTRIELMPVYQELGYAEPLSETEQADLSAWIYLRACQCAAYVGKGTTIYYNDKPCRTGSVMALAKMYTLLSAPNSTIHTATIKADAKPYSLHPLQVAAVVSPKFKKFEHVSVINGVNCVKGEHVTFLKK...
A
1.A
[Mg+2]
MG
1.F
false
false
23.983944
true
2
2
8wwy__2__1.C_1.D__1.H
train
8wwy
X-RAY DIFFRACTION
1.79
true
MSTFEDADTEETVTCLQMTIYHPGQQSGIFKSIRFSSKEKFPSIEVVKFGRNSNMCQYTFQDKQVSRIQFVLQPFKQFNSSVLSFEIKNMSKKTSLMVDNQELGYLNKMDLPYKCMLRFGEYQFLLQKEDGESVESFETQFIMSSRPLLQ
C
1.C
C[C@@H](O)CC[C@@H](C)O
HX2
1.H
true
false
118.09938
false
2
1
8wwy__2__1.C_1.D__1.H
train
8wwy
X-RAY DIFFRACTION
1.79
true
GPLGSMERPLTVLQVSLYHPTQGPVAFAHVPQQLQHDASRLLVGRGQNTHLQLQLPQLSRYHLSLEPYLEKGSSLLAFCLKVLTRKSCVWVNGLPLRYLEQVPLGTINRISFSGIQMLVRKEGGASLETFVCYFHLSPSPLIYR
D
1.D
C[C@@H](O)CC[C@@H](C)O
HX2
1.H
true
false
118.09938
false
2
1
8wy0__1__1.B_1.F_1.G_1.H__1.I
train
8wy0
ELECTRON MICROSCOPY
null
true
MKWKALFTAAILQAQLPITEAQSFGLLDPKLCYLLDGILFIYGVILTALFLRVKFSRSADAPAYQQGQNQLYNELNLGRREEYDVLDKRRGRDPEMGGKPQRRKNPQEGLYNELQKDKMAEAYSEIGMKGERRRGKGHDGLYQGLSTATKDTYDALHMQALPPRAAAWSHPQFEKGGGSGGGSGGSAWSHPQFEK
B
1.B
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
CLR
1.I
true
false
386.354858
false
4
1
8wy0__1__1.B_1.F_1.G_1.H__1.I
train
8wy0
ELECTRON MICROSCOPY
null
true
MEQGKGLAVLILAIILLQGTLAQSIKGNHLVKVYDYQEDGSVLLTCDAEAKNITWFKDGKMIGFLTEDKKKWNLGSNAKDPRGMYQCKGSQNKSKPLQVYYRMCQNCIELNAATISGFLFAEIVSIFVLAVGVYFIAGQDGVRQSRASDKQTLLPNDQLYQPLKDREDDQYSHLQGNQLRRN
F
1.F
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
CLR
1.I
true
false
386.354858
false
4
1
8wy0__1__1.B_1.F_1.G_1.H__1.I
train
8wy0
ELECTRON MICROSCOPY
null
true
MDMRVPAQLLGLLLLWLSGARCMDYKDDDDKGGSETGAIELVPEHQTVPVSIGVPATLRCSMKGEAIGNYYINWYRKTQGNTMTFIYREKDIYGPGFKDNFQGDIDIAKNLAVLKILAPSERDEGSYYCACDTLGMGGEYTDKLIFGKGTRVTVEPRSQPHTKPSVFVMKNGTNVACLVKEFYPKDIRINLVSSKKITEFDPAIVISPSGKYNAVKLGKYEDSNSVTCSVQHDNKTVHSTDFEVKTDSTDHVKPKETENTKQPSKSCHKPKAIVHTEKVNMMSLTVLGLRMLFAKTVAVNALLTAKLAAL
G
1.G
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
CLR
1.I
true
false
386.354858
false
4
1
8wy0__1__1.B_1.F_1.G_1.H__1.I
train
8wy0
ELECTRON MICROSCOPY
null
true
MDMRVPAQLLGLLLLWLSGARCMDYKDDDDKGGSETGAGHLEQPQISSTKTLSKTARLECVVSGITISATSVYWYRERPGEVIQFLVSISYDGTVRKESGIPSGKFEVDRIPETSTSTLTIHNVEKQDIATYYCALWEAQQELGKKIKVFGPGTKLIITDKQLDADVSPKPTIFLPSIAETKLQKAGTYLCLLEKFFPDVIKIHWQEKKSNTILGSQEGNTMKTNDTYMKFSWLTVPEKSLDKEHRCIVRHENNKNGVDQEIIFPPIKTDVITMDPKDNCSKDANDTLLLQLTNTSAYYMYLLLLLKSVVYFAIITCCLL...
H
1.H
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
CLR
1.I
true
false
386.354858
false
4
1
8wuc__1__1.K__1.MA_1.NA
train
8wuc
ELECTRON MICROSCOPY
null
true
AAKEVKFHDSARERLVAGVNLLANAVKTTLGPKGRNVVIERSFGAPIVTKDGVTVAKEIELKDKFENMGAQMVKEVASKTADVAGDGTTTATVLAQAIVREGMKYVAAGMNPMDLKRGIDKAVTAIVEELKAISKPCSTTKEIAQVGTISANADSSIGEIIAQAMDKVGKEGVITVEDGKSLENELEVVEGMQFDRGYLSPYFINNPDKQVAVLDNPYILLHDKKISNIRDLLPVLEQVAKAGRPLLIIAEDVEGEALATLVVNNLRGILKTCAVKAPGFGDRRKAMLQDIAILTGGTVISEEVGLSLEKATLEDLGQAK...
K
1.K
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ADP
1.MA
true
false
427.029419
false
1
2
8wuc__1__1.K__1.MA_1.NA
train
8wuc
ELECTRON MICROSCOPY
null
true
AAKEVKFHDSARERLVAGVNLLANAVKTTLGPKGRNVVIERSFGAPIVTKDGVTVAKEIELKDKFENMGAQMVKEVASKTADVAGDGTTTATVLAQAIVREGMKYVAAGMNPMDLKRGIDKAVTAIVEELKAISKPCSTTKEIAQVGTISANADSSIGEIIAQAMDKVGKEGVITVEDGKSLENELEVVEGMQFDRGYLSPYFINNPDKQVAVLDNPYILLHDKKISNIRDLLPVLEQVAKAGRPLLIIAEDVEGEALATLVVNNLRGILKTCAVKAPGFGDRRKAMLQDIAILTGGTVISEEVGLSLEKATLEDLGQAK...
K
1.K
[Mg+2]
MG
1.NA
false
false
23.983944
false
1
2
8wyb__1__1.C__1.K
train
8wyb
ELECTRON MICROSCOPY
null
true
MVKVDLESKRYGEKLKEVFLMLDNNVVECIKEITESSRNGKLVFFVGAGVSTLSDYPQWWRLVDKYHEELYGSPKKGNYSSDEYLRIPQIFYNVKGEMAFDGILKDFFQVDKPTNPIHDKILAMNPAHVITTNYDNLIDTACWKRGKYFSVISAEEDVANATSSRYLLKVAGDFRKGFKGENVVLKEDDYLNYDQNYPLISNLMKTIIATHTIVFIGYGLGDYNINMLLNWVRKLQKDSFHKPFFIRTDPSPIENETLIYYENKGLRIIDAASLIDSNEYDYLERYSAVMDLLIESQENKFITKDDEVIDYIYGKISPLF...
C
1.C
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
NAD
1.K
true
false
663.109131
false
1
1
8wy3__1__1.B__1.E
train
8wy3
X-RAY DIFFRACTION
2.78
true
MKKGHHHHHHLVPRGSNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
B
1.B
Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)NC1CC1
XHE
1.E
true
false
493.237671
false
1
1
8wyb__1__1.D__1.L
train
8wyb
ELECTRON MICROSCOPY
null
true
MVKVDLESKRYGEKLKEVFLMLDNNVVECIKEITESSRNGKLVFFVGAGVSTLSDYPQWWRLVDKYHEELYGSPKKGNYSSDEYLRIPQIFYNVKGEMAFDGILKDFFQVDKPTNPIHDKILAMNPAHVITTNYDNLIDTACWKRGKYFSVISAEEDVANATSSRYLLKVAGDFRKGFKGENVVLKEDDYLNYDQNYPLISNLMKTIIATHTIVFIGYGLGDYNINMLLNWVRKLQKDSFHKPFFIRTDPSPIENETLIYYENKGLRIIDAASLIDSNEYDYLERYSAVMDLLIESQENKFITKDDEVIDYIYGKISPLF...
D
1.D
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
NAD
1.L
true
false
663.109131
false
1
1
8wy4__1__1.C_1.D__1.G_1.H
train
8wy4
ELECTRON MICROSCOPY
null
true
MKFSNITIKNFRNFEKVNINLDNKNVIFGMNDIGKTNFLYALRFLLDKEIRKFGFNKSDYHKHDTSKKIEIILTLDLSNYEKDEDTKKLISVVKGARTSANADVFYIALESKYDDKELYGNIILKWGSELDNLIDIPGRGNINALDNVFKVIYINPLVDLDKLFAQNKKYIFEESQGNESDEGILNNIKSLTDQVNQQIGEMTIIKGFQQEITSEYRSLKKEEVSIELKSEMAIKGFFSDIIPYIKKDGDSNYYPTSGDGRRKMLSYSIYNYLAKKKYEDKIVIYLIEEPEISLHRSMQIALSKQLFEQSTYKYFFLSTH...
C
1.C
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ATP
1.G
true
true
506.995758
false
2
2
8wy3__1__2.A__2.D
train
8wy3
X-RAY DIFFRACTION
2.78
true
MKKGHHHHHHLVPRGSNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
A
2.A
Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)NC1CC1
XHE
2.D
true
false
493.237671
false
1
1
8wy3__1__1.C__1.F
train
8wy3
X-RAY DIFFRACTION
2.78
true
MKKGHHHHHHLVPRGSNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
C
1.C
Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)NC1CC1
XHE
1.F
true
false
493.237671
false
1
1
8wy7__1__2.B__2.E
train
8wy7
X-RAY DIFFRACTION
2.83
true
MKKGHHHHHHLVPRGSNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
B
2.B
Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)NC1CCC(O)CC1
XHN
2.E
true
false
551.279541
false
1
1
8wy7__1__1.A__1.D
train
8wy7
X-RAY DIFFRACTION
2.83
true
MKKGHHHHHHLVPRGSNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
A
1.A
Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)NC1CCC(O)CC1
XHN
1.D
true
false
551.279541
false
1
1
8wy7__1__1.C__1.F
train
8wy7
X-RAY DIFFRACTION
2.83
true
MKKGHHHHHHLVPRGSNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
C
1.C
Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)NC1CCC(O)CC1
XHN
1.F
true
false
551.279541
false
1
1
8wyb__1__1.B__1.J
train
8wyb
ELECTRON MICROSCOPY
null
true
MVKVDLESKRYGEKLKEVFLMLDNNVVECIKEITESSRNGKLVFFVGAGVSTLSDYPQWWRLVDKYHEELYGSPKKGNYSSDEYLRIPQIFYNVKGEMAFDGILKDFFQVDKPTNPIHDKILAMNPAHVITTNYDNLIDTACWKRGKYFSVISAEEDVANATSSRYLLKVAGDFRKGFKGENVVLKEDDYLNYDQNYPLISNLMKTIIATHTIVFIGYGLGDYNINMLLNWVRKLQKDSFHKPFFIRTDPSPIENETLIYYENKGLRIIDAASLIDSNEYDYLERYSAVMDLLIESQENKFITKDDEVIDYIYGKISPLF...
B
1.B
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
NAD
1.J
true
false
663.109131
false
1
1
8wyb__1__1.A__1.I
train
8wyb
ELECTRON MICROSCOPY
null
true
MVKVDLESKRYGEKLKEVFLMLDNNVVECIKEITESSRNGKLVFFVGAGVSTLSDYPQWWRLVDKYHEELYGSPKKGNYSSDEYLRIPQIFYNVKGEMAFDGILKDFFQVDKPTNPIHDKILAMNPAHVITTNYDNLIDTACWKRGKYFSVISAEEDVANATSSRYLLKVAGDFRKGFKGENVVLKEDDYLNYDQNYPLISNLMKTIIATHTIVFIGYGLGDYNINMLLNWVRKLQKDSFHKPFFIRTDPSPIENETLIYYENKGLRIIDAASLIDSNEYDYLERYSAVMDLLIESQENKFITKDDEVIDYIYGKISPLF...
A
1.A
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
NAD
1.I
true
false
663.109131
false
1
1
8wyc__1__1.A__1.G
train
8wyc
ELECTRON MICROSCOPY
null
true
MVKVDLESKRYGEKLKEVFLMLDNNVVECIKEITESSRNGKLVFFVGAGVSTLSDYPQWWRLVDKYHEELYGSPKKGNYSSDEYLRIPQIFYNVKGEMAFDGILKDFFQVDKPTNPIHDKILAMNPAHVITTNYDNLIDTACWKRGKYFSVISAEEDVANATSSRYLLKVAGDFRKGFKGENVVLKEDDYLNYDQNYPLISNLMKTIIATHTIVFIGYGLGDYNINMLLNWVRKLQKDSFHKPFFIRTDPSPIENETLIYYENKGLRIIDAASLIDSNEYDYLERYSAVMDLLIESQENKFITKDDEVIDYIYGKISPLF...
A
1.A
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
NAD
1.G
true
false
663.109131
false
1
1
8wyc__1__1.B__1.H
train
8wyc
ELECTRON MICROSCOPY
null
true
MVKVDLESKRYGEKLKEVFLMLDNNVVECIKEITESSRNGKLVFFVGAGVSTLSDYPQWWRLVDKYHEELYGSPKKGNYSSDEYLRIPQIFYNVKGEMAFDGILKDFFQVDKPTNPIHDKILAMNPAHVITTNYDNLIDTACWKRGKYFSVISAEEDVANATSSRYLLKVAGDFRKGFKGENVVLKEDDYLNYDQNYPLISNLMKTIIATHTIVFIGYGLGDYNINMLLNWVRKLQKDSFHKPFFIRTDPSPIENETLIYYENKGLRIIDAASLIDSNEYDYLERYSAVMDLLIESQENKFITKDDEVIDYIYGKISPLF...
B
1.B
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
NAD
1.H
true
false
663.109131
false
1
1
8wyf__1__1.A__1.F
train
8wyf
ELECTRON MICROSCOPY
null
true
MVKVDLESKRYGEKLKEVFLMLDNNVVECIKEITESSRNGKLVFFVGAGVSTLSDYPQWWRLVDKYHEELYGSPKKGNYSSDEYLRIPQIFYNVKGEMAFDGILKDFFQVDKPTNPIHDKILAMNPAHVITTNYDNLIDTACWKRGKYFSVISAEEDVANATSSRYLLKVHGDFRKGFKGENVVLKEDDYLNYDQNYPLISNLMKTIIATHTIVFIGYGLGDYNINMLLNWVRKLQKDSFHKPFFIRTDPSPIENETLIYYENKGLRIIDAASLIDSNEYDYLERYSAVMDLLIESQENKFITKDDEVIDYIYGKISPLF...
A
1.A
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
NAD
1.F
true
false
663.109131
false
1
1
8wy4__1__1.A_1.B__1.E_1.F
train
8wy4
ELECTRON MICROSCOPY
null
true
MKFSNITIKNFRNFEKVNINLDNKNVIFGMNDIGKTNFLYALRFLLDKEIRKFGFNKSDYHKHDTSKKIEIILTLDLSNYEKDEDTKKLISVVKGARTSANADVFYIALESKYDDKELYGNIILKWGSELDNLIDIPGRGNINALDNVFKVIYINPLVDLDKLFAQNKKYIFEESQGNESDEGILNNIKSLTDQVNQQIGEMTIIKGFQQEITSEYRSLKKEEVSIELKSEMAIKGFFSDIIPYIKKDGDSNYYPTSGDGRRKMLSYSIYNYLAKKKYEDKIVIYLIEEPEISLHRSMQIALSKQLFEQSTYKYFFLSTH...
A
1.A
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ATP
1.E
true
true
506.995758
false
2
2
8wyf__1__1.B_1.D__1.I
train
8wyf
ELECTRON MICROSCOPY
null
true
MVKVDLESKRYGEKLKEVFLMLDNNVVECIKEITESSRNGKLVFFVGAGVSTLSDYPQWWRLVDKYHEELYGSPKKGNYSSDEYLRIPQIFYNVKGEMAFDGILKDFFQVDKPTNPIHDKILAMNPAHVITTNYDNLIDTACWKRGKYFSVISAEEDVANATSSRYLLKVHGDFRKGFKGENVVLKEDDYLNYDQNYPLISNLMKTIIATHTIVFIGYGLGDYNINMLLNWVRKLQKDSFHKPFFIRTDPSPIENETLIYYENKGLRIIDAASLIDSNEYDYLERYSAVMDLLIESQENKFITKDDEVIDYIYGKISPLF...
B
1.B
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
NAD
1.I
true
false
663.109131
false
2
1
8wyc__1__1.D__1.J
train
8wyc
ELECTRON MICROSCOPY
null
true
MVKVDLESKRYGEKLKEVFLMLDNNVVECIKEITESSRNGKLVFFVGAGVSTLSDYPQWWRLVDKYHEELYGSPKKGNYSSDEYLRIPQIFYNVKGEMAFDGILKDFFQVDKPTNPIHDKILAMNPAHVITTNYDNLIDTACWKRGKYFSVISAEEDVANATSSRYLLKVAGDFRKGFKGENVVLKEDDYLNYDQNYPLISNLMKTIIATHTIVFIGYGLGDYNINMLLNWVRKLQKDSFHKPFFIRTDPSPIENETLIYYENKGLRIIDAASLIDSNEYDYLERYSAVMDLLIESQENKFITKDDEVIDYIYGKISPLF...
D
1.D
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
NAD
1.J
true
false
663.109131
false
1
1
8wzp__1__1.B__1.C
train
8wzp
X-RAY DIFFRACTION
1.76
true
FRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDILNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNARTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVV
B
1.B
O=C(Cn1nnc2ccccc21)N(Cc1cccc(Cl)c1)c1ccc(-c2cnc[nH]2)cc1
XIU
1.C
true
false
442.13089
false
1
1
8wyf__1__1.C__1.H
train
8wyf
ELECTRON MICROSCOPY
null
true
MVKVDLESKRYGEKLKEVFLMLDNNVVECIKEITESSRNGKLVFFVGAGVSTLSDYPQWWRLVDKYHEELYGSPKKGNYSSDEYLRIPQIFYNVKGEMAFDGILKDFFQVDKPTNPIHDKILAMNPAHVITTNYDNLIDTACWKRGKYFSVISAEEDVANATSSRYLLKVHGDFRKGFKGENVVLKEDDYLNYDQNYPLISNLMKTIIATHTIVFIGYGLGDYNINMLLNWVRKLQKDSFHKPFFIRTDPSPIENETLIYYENKGLRIIDAASLIDSNEYDYLERYSAVMDLLIESQENKFITKDDEVIDYIYGKISPLF...
C
1.C
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
NAD
1.H
true
false
663.109131
false
1
1
8wyf__1__1.B__1.G
train
8wyf
ELECTRON MICROSCOPY
null
true
MVKVDLESKRYGEKLKEVFLMLDNNVVECIKEITESSRNGKLVFFVGAGVSTLSDYPQWWRLVDKYHEELYGSPKKGNYSSDEYLRIPQIFYNVKGEMAFDGILKDFFQVDKPTNPIHDKILAMNPAHVITTNYDNLIDTACWKRGKYFSVISAEEDVANATSSRYLLKVHGDFRKGFKGENVVLKEDDYLNYDQNYPLISNLMKTIIATHTIVFIGYGLGDYNINMLLNWVRKLQKDSFHKPFFIRTDPSPIENETLIYYENKGLRIIDAASLIDSNEYDYLERYSAVMDLLIESQENKFITKDDEVIDYIYGKISPLF...
B
1.B
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
NAD
1.G
true
false
663.109131
false
1
1
8wyg__1__1.D__1.H
train
8wyg
X-RAY DIFFRACTION
3.13
true
EGDIHMKKGHHHHHHENLYFQGGSGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD
D
1.D
Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)NC1CCC(O)CC1
XHN
1.H
true
false
551.279541
false
1
1
8wyg__1__1.B__1.F
train
8wyg
X-RAY DIFFRACTION
3.13
true
EGDIHMKKGHHHHHHENLYFQGGSGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD
B
1.B
Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)NC1CCC(O)CC1
XHN
1.F
true
false
551.279541
false
1
1
8wyg__1__1.A_1.C__1.E_1.G
train
8wyg
X-RAY DIFFRACTION
3.13
true
EGDIHMKKGHHHHHHENLYFQGGSGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD
A
1.A
Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)cc1NCC(=O)NC1CCC(O)CC1
XHN
1.E
true
false
551.279541
false
2
2
8wyp__1__1.A__1.B_1.C
train
8wyp
X-RAY DIFFRACTION
1.24
true
MNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTE
A
1.A
Nc1ccc2ncc(Br)n2c1
XUK
1.B
true
false
210.974503
false
1
2
8wzq__1__1.B__1.D
train
8wzq
X-RAY DIFFRACTION
1.66
true
FRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFFDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNARTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTF
B
1.B
O=C(Cn1nnc2ccccc21)N(Cc1cccc(Cl)c1)c1ccc(-c2cnc[nH]2)cc1
XIU
1.D
true
false
442.13089
false
1
1
8wgv__1__1.F__1.GB
train
8wgv
ELECTRON MICROSCOPY
null
true
MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGL...
F
1.F
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
NAG
1.GB
true
false
221.089935
false
1
1
8wzq__1__1.A__1.C
train
8wzq
X-RAY DIFFRACTION
1.66
true
FRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFFDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNARTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTF
A
1.A
O=C(Cn1nnc2ccccc21)N(Cc1cccc(Cl)c1)c1ccc(-c2cnc[nH]2)cc1
XIU
1.C
true
false
442.13089
true
1
1
8x0x__2__1.B__1.J
train
8x0x
X-RAY DIFFRACTION
3.45
true
NLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPK
B
1.B
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
NAG
1.J
true
true
221.089935
false
1
1
8x0x__1__1.A__1.G
train
8x0x
X-RAY DIFFRACTION
3.45
true
NLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPK
A
1.A
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
NAG
1.G
true
true
221.089935
false
1
1
8wgw__1__1.B__1.G
train
8wgw
ELECTRON MICROSCOPY
null
true
MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGL...
B
1.B
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
NAG
1.G
true
true
221.089935
false
1
1
8wwo__1__1.A_2.D__2.K_2.L
train
8wwo
X-RAY DIFFRACTION
2.2
true
MEAFEISDFKEHAKKKSMWAGALNKVTISGLMGVFTEDEDLMALPIHRDHCPALLKIFDEIIVNATDHERACHNKTKKVTYIKISFDKGVFSCENDGPGIPIAKHEQASLIAKRDVYVPEVASCHFLAGTNINKAKDCIKGGTNGVGLKLAMVHSQWAILTTADGAQKYVQHINQRLDIIEPPTITPSREMFTRIELMPVYQELGYAEPLSETEQADLSAWIYLRACQCAAYVGKGTTIYYNDKPCRTGSVMALAKMYTLLSAPNSTIHTATIKADAKPYSLHPLQVAAVVSPKFKKFEHVSVINGVNCVKGEHVTFLKK...
A
1.A
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O
ANP
2.K
true
false
506.011719
true
2
2
8wwo__1__1.A_2.D__2.K_2.L
train
8wwo
X-RAY DIFFRACTION
2.2
true
MEAFEISDFKEHAKKKSMWAGALNKVTISGLMGVFTEDEDLMALPIHRDHCPALLKIFDEIIVNATDHERACHNKTKKVTYIKISFDKGVFSCENDGPGIPIAKHEQASLIAKRDVYVPEVASCHFLAGTNINKAKDCIKGGTNGVGLKLAMVHSQWAILTTADGAQKYVQHINQRLDIIEPPTITPSREMFTRIELMPVYQELGYAEPLSETEQADLSAWIYLRACQCAAYVGKGTTIYYNDKPCRTGSVMALAKMYTLLSAPNSTIHTATIKADAKPYSLHPLQVAAVVSPKFKKFEHVSVINGVNCVKGEHVTFLKK...
D
2.D
[Mg+2]
MG
2.L
false
false
23.983944
true
2
2
8x15__1__1.M_1.R__1.EA
train
8x15
ELECTRON MICROSCOPY
null
true
MKIEEVKSTTKTQRIASHSHVKGLGLDESGLAKQAASGLVGQENAREACGVIVELIKSKKMAGRAVLLAGPPGTGKTALALAIAQELGSKVPFCPMVGSEVYSTEIKKTEVLMENFRRAIGLRIKETKEVYEGEVTELTPCETENPMGGYGKTISHVIIGLKTAKGTKQLKLDPSIFESLQKERVEAGDVIYIEANSGAVKRQGRCDTYATEFDLEAEEYVPLPKGDVHKKKEIIQDVTLHDLDVANARPQGGQDILSMMGQLMKPKKTEITDKLRGEINKVVNKYIDQGIAELVPGVLFVDEVHMLDIECFTYLHRALE...
M
1.M
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ADP
1.EA
true
false
427.029419
false
2
1
8x15__1__1.M_1.R__1.EA
train
8x15
ELECTRON MICROSCOPY
null
true
MATVTATTKVPEIRDVTRIERIGAHSHIRGLGLDDALEPRQASQGMVGQLAARRAAGVVLEMIREGKIAGRAVLIAGQPGTGKTAIAMGMAQALGPDTPFTAIAGSEIFSLEMSKTEALTQAFRRSIGVRIKEETEIIEGEVVEIQIDRPATGTGSKVGKLTLKTTEMETIYDLGTKMIESLTKDKVQAGDVITIDKATGKISKLGRSFTRARDYDAMGSQTKFVQCPDGELQKRKEVVHTVSLHEIDVINSRTQGFLALFSGDTGEIKSEVREQINAKVAEWREEGKAEIIPGVLFIDEVHMLDIESFSFLNRALESDM...
R
1.R
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ADP
1.EA
true
false
427.029419
false
2
1
8x15__1__1.P_1.Q__1.CA
train
8x15
ELECTRON MICROSCOPY
null
true
MATVTATTKVPEIRDVTRIERIGAHSHIRGLGLDDALEPRQASQGMVGQLAARRAAGVVLEMIREGKIAGRAVLIAGQPGTGKTAIAMGMAQALGPDTPFTAIAGSEIFSLEMSKTEALTQAFRRSIGVRIKEETEIIEGEVVEIQIDRPATGTGSKVGKLTLKTTEMETIYDLGTKMIESLTKDKVQAGDVITIDKATGKISKLGRSFTRARDYDAMGSQTKFVQCPDGELQKRKEVVHTVSLHEIDVINSRTQGFLALFSGDTGEIKSEVREQINAKVAEWREEGKAEIIPGVLFIDEVHMLDIESFSFLNRALESDM...
P
1.P
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ADP
1.CA
true
false
427.029419
false
2
1
8x15__1__1.P_1.Q__1.CA
train
8x15
ELECTRON MICROSCOPY
null
true
MKIEEVKSTTKTQRIASHSHVKGLGLDESGLAKQAASGLVGQENAREACGVIVELIKSKKMAGRAVLLAGPPGTGKTALALAIAQELGSKVPFCPMVGSEVYSTEIKKTEVLMENFRRAIGLRIKETKEVYEGEVTELTPCETENPMGGYGKTISHVIIGLKTAKGTKQLKLDPSIFESLQKERVEAGDVIYIEANSGAVKRQGRCDTYATEFDLEAEEYVPLPKGDVHKKKEIIQDVTLHDLDVANARPQGGQDILSMMGQLMKPKKTEITDKLRGEINKVVNKYIDQGIAELVPGVLFVDEVHMLDIECFTYLHRALE...
Q
1.Q
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ADP
1.CA
true
false
427.029419
false
2
1
8x0y__2__1.D__1.H
train
8x0y
X-RAY DIFFRACTION
1.94
true
TNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPK
D
1.D
CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
NAG-NAG-FUC
1.H
true
true
554.2323
false
1
1
8ww2__1__1.E__1.F_1.G_1.H
train
8ww2
ELECTRON MICROSCOPY
null
true
MMWGAGSPLAWLSAGSGNVNVSSVGPAEGPTGPAAPLPSPKAWDVVLCISGTLVSCENALVVAIIVGTPAFRAPMFLLVGSLAVADLLAGLGLVLHFAAVFCIGSAEMSLVLVGVLAMAFTASIGSLLAITVDRYLSLYNALTYYSETTVTRTYVMLALVWGGALGLGLLPVLAWNCLDGLTTCGVVYPLSKNHLVVLAIAFFMVFGIMLQLYAQICRIVCRHAQQIALQRHLLPASHYVATRKGIATLAVVLGAFAACWLPFTVYCLLGDAHSPPLYTYLTLLPATYNSMINPIIYAFRNQDVQKVLWAVCCCCSSSKI...
E
1.E
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
Y01
1.G
true
false
486.370911
false
1
3
8x15__1__1.N_1.O__1.AA
train
8x15
ELECTRON MICROSCOPY
null
true
MATVTATTKVPEIRDVTRIERIGAHSHIRGLGLDDALEPRQASQGMVGQLAARRAAGVVLEMIREGKIAGRAVLIAGQPGTGKTAIAMGMAQALGPDTPFTAIAGSEIFSLEMSKTEALTQAFRRSIGVRIKEETEIIEGEVVEIQIDRPATGTGSKVGKLTLKTTEMETIYDLGTKMIESLTKDKVQAGDVITIDKATGKISKLGRSFTRARDYDAMGSQTKFVQCPDGELQKRKEVVHTVSLHEIDVINSRTQGFLALFSGDTGEIKSEVREQINAKVAEWREEGKAEIIPGVLFIDEVHMLDIESFSFLNRALESDM...
N
1.N
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ADP
1.AA
true
false
427.029419
false
2
1
8x15__1__1.N_1.O__1.AA
train
8x15
ELECTRON MICROSCOPY
null
true
MKIEEVKSTTKTQRIASHSHVKGLGLDESGLAKQAASGLVGQENAREACGVIVELIKSKKMAGRAVLLAGPPGTGKTALALAIAQELGSKVPFCPMVGSEVYSTEIKKTEVLMENFRRAIGLRIKETKEVYEGEVTELTPCETENPMGGYGKTISHVIIGLKTAKGTKQLKLDPSIFESLQKERVEAGDVIYIEANSGAVKRQGRCDTYATEFDLEAEEYVPLPKGDVHKKKEIIQDVTLHDLDVANARPQGGQDILSMMGQLMKPKKTEITDKLRGEINKVVNKYIDQGIAELVPGVLFVDEVHMLDIECFTYLHRALE...
O
1.O
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ADP
1.AA
true
false
427.029419
false
2
1
8wwy__2__1.D__1.G
train
8wwy
X-RAY DIFFRACTION
1.79
true
GPLGSMERPLTVLQVSLYHPTQGPVAFAHVPQQLQHDASRLLVGRGQNTHLQLQLPQLSRYHLSLEPYLEKGSSLLAFCLKVLTRKSCVWVNGLPLRYLEQVPLGTINRISFSGIQMLVRKEGGASLETFVCYFHLSPSPLIYR
D
1.D
C[C@@H](O)CC[C@@H](C)O
HX2
1.G
true
false
118.09938
true
1
1
8x15__1__1.M_1.N__1.Z
train
8x15
ELECTRON MICROSCOPY
null
true
MKIEEVKSTTKTQRIASHSHVKGLGLDESGLAKQAASGLVGQENAREACGVIVELIKSKKMAGRAVLLAGPPGTGKTALALAIAQELGSKVPFCPMVGSEVYSTEIKKTEVLMENFRRAIGLRIKETKEVYEGEVTELTPCETENPMGGYGKTISHVIIGLKTAKGTKQLKLDPSIFESLQKERVEAGDVIYIEANSGAVKRQGRCDTYATEFDLEAEEYVPLPKGDVHKKKEIIQDVTLHDLDVANARPQGGQDILSMMGQLMKPKKTEITDKLRGEINKVVNKYIDQGIAELVPGVLFVDEVHMLDIECFTYLHRALE...
M
1.M
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ADP
1.Z
true
false
427.029419
false
2
1
8x15__1__1.M_1.N__1.Z
train
8x15
ELECTRON MICROSCOPY
null
true
MATVTATTKVPEIRDVTRIERIGAHSHIRGLGLDDALEPRQASQGMVGQLAARRAAGVVLEMIREGKIAGRAVLIAGQPGTGKTAIAMGMAQALGPDTPFTAIAGSEIFSLEMSKTEALTQAFRRSIGVRIKEETEIIEGEVVEIQIDRPATGTGSKVGKLTLKTTEMETIYDLGTKMIESLTKDKVQAGDVITIDKATGKISKLGRSFTRARDYDAMGSQTKFVQCPDGELQKRKEVVHTVSLHEIDVINSRTQGFLALFSGDTGEIKSEVREQINAKVAEWREEGKAEIIPGVLFIDEVHMLDIESFSFLNRALESDM...
N
1.N
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ADP
1.Z
true
false
427.029419
false
2
1
8x15__1__1.T_1.U__1.FA
train
8x15
ELECTRON MICROSCOPY
null
true
MSGGVYGGDEVGALVFDIGSYTVRAGYAGEDCPKVDFPTAIGMVVERDDGSTLMEIDGDKGKQGGPTYYIDTNALRVPRENMEAISPLKNGMVEDWDSFQAILDHTYKMHVKSEASLHPVLMSEAPWNTRAKREKLTELMFEHYNIPAFFLCKTAVLTAFANGRSTGLILDSGATHTTAIPVHDGYVLQQGIVKSPLAGDFITMQCRELFQEMNIELVPPYMIASKEAVREGSPANWKRKEKLPQVTRSWHNYMCNCVIQDFQASVLQVSDSTYDEQVAAQMPTVHYEFPNGYNCDFGAERLKIPEGLFDPSNVKGLSGN...
T
1.T
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ATP
1.FA
true
false
506.995758
false
2
1
8x15__1__1.T_1.U__1.FA
train
8x15
ELECTRON MICROSCOPY
null
true
MDDDIAALVVDNGSGMCKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHPVLLTEAPLNPKANREKMTQIMFETFNTPAMYVAIQAVLSLYASGRTTGIVMDSGDGVTHTVPIYEGYALPHAILRLDLAGRDLTDYLMKILTERGYSFTTTAEREIVRDIKEKLCYVALDFEQEMATAASSSSLEKSYELPDGQVITIGNERFRCPEALFQPSFLGMESCGIHETTFNSIMKCDVDIRKDLYANTVLSGGTTMYPGIADRMQKEITAL...
U
1.U
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ATP
1.FA
true
false
506.995758
false
2
1
8x15__1__1.O_1.P__1.BA
train
8x15
ELECTRON MICROSCOPY
null
true
MKIEEVKSTTKTQRIASHSHVKGLGLDESGLAKQAASGLVGQENAREACGVIVELIKSKKMAGRAVLLAGPPGTGKTALALAIAQELGSKVPFCPMVGSEVYSTEIKKTEVLMENFRRAIGLRIKETKEVYEGEVTELTPCETENPMGGYGKTISHVIIGLKTAKGTKQLKLDPSIFESLQKERVEAGDVIYIEANSGAVKRQGRCDTYATEFDLEAEEYVPLPKGDVHKKKEIIQDVTLHDLDVANARPQGGQDILSMMGQLMKPKKTEITDKLRGEINKVVNKYIDQGIAELVPGVLFVDEVHMLDIECFTYLHRALE...
O
1.O
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ADP
1.BA
true
false
427.029419
false
2
1
8x15__1__1.O_1.P__1.BA
train
8x15
ELECTRON MICROSCOPY
null
true
MATVTATTKVPEIRDVTRIERIGAHSHIRGLGLDDALEPRQASQGMVGQLAARRAAGVVLEMIREGKIAGRAVLIAGQPGTGKTAIAMGMAQALGPDTPFTAIAGSEIFSLEMSKTEALTQAFRRSIGVRIKEETEIIEGEVVEIQIDRPATGTGSKVGKLTLKTTEMETIYDLGTKMIESLTKDKVQAGDVITIDKATGKISKLGRSFTRARDYDAMGSQTKFVQCPDGELQKRKEVVHTVSLHEIDVINSRTQGFLALFSGDTGEIKSEVREQINAKVAEWREEGKAEIIPGVLFIDEVHMLDIESFSFLNRALESDM...
P
1.P
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ADP
1.BA
true
false
427.029419
false
2
1
8wux__1__1.H__1.HA_1.IA_1.JA
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
H
1.H
[Mg+2]
MG
1.HA
false
false
23.983944
false
1
3
8wux__1__1.H__1.HA_1.IA_1.JA
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
H
1.H
[K+]
K
1.IA
false
false
38.963158
false
1
3
8wux__1__1.H__1.HA_1.IA_1.JA
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
H
1.H
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O
ANP
1.JA
true
false
506.011719
false
1
3
8wux__1__1.J__1.KA_1.LA
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
J
1.J
[Mg+2]
MG
1.KA
false
false
23.983944
false
1
2
8wux__1__1.J__1.KA_1.LA
train
8wux
ELECTRON MICROSCOPY
null
true
AAKKVIYGEDARARLKAGVDKLANAVKVTLGPRGREVIIEKKWGTPVVTKDGVTVAKEIEFKDPYENMGAQLVKEVASKTSDVAGDGTTTATVLAQAIFNEGLRAIASGANPMDIKRGIDKAVETVVNEIKKLSIPVSGRKEIEQVATISANNDATIGKIIADAMEAVGKDGVITVEESKSAETTLETVQGMQFDRGYLSPYFVTNPDKMEAVLEDPFILIYEKKISNVKDLLPVLENVVRAGKPLLIIAEDVEAEALATLVVNHIKGVIRACAVKAPGFGQRRKDYLQDIAILTGGTAITEELGIKLESVTLDMLGRAD...
J
1.J
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O
ANP
1.LA
true
false
506.011719
false
1
2
8x0y__1__1.A__1.G
train
8x0y
X-RAY DIFFRACTION
1.94
true
TNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPK
A
1.A
CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
NAG-NAG-FUC
1.G
true
true
554.2323
false
1
1
8x16__1__1.A__1.F
train
8x16
ELECTRON MICROSCOPY
null
true
MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
A
1.A
CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O
Q8L
1.F
true
false
510.051239
false
1
1
8x15__1__1.U__1.GA
train
8x15
ELECTRON MICROSCOPY
null
true
MDDDIAALVVDNGSGMCKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHPVLLTEAPLNPKANREKMTQIMFETFNTPAMYVAIQAVLSLYASGRTTGIVMDSGDGVTHTVPIYEGYALPHAILRLDLAGRDLTDYLMKILTERGYSFTTTAEREIVRDIKEKLCYVALDFEQEMATAASSSSLEKSYELPDGQVITIGNERFRCPEALFQPSFLGMESCGIHETTFNSIMKCDVDIRKDLYANTVLSGGTTMYPGIADRMQKEITAL...
U
1.U
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ATP
1.GA
true
false
506.995758
false
1
1
8x15__1__1.Q_1.R__1.DA
train
8x15
ELECTRON MICROSCOPY
null
true
MKIEEVKSTTKTQRIASHSHVKGLGLDESGLAKQAASGLVGQENAREACGVIVELIKSKKMAGRAVLLAGPPGTGKTALALAIAQELGSKVPFCPMVGSEVYSTEIKKTEVLMENFRRAIGLRIKETKEVYEGEVTELTPCETENPMGGYGKTISHVIIGLKTAKGTKQLKLDPSIFESLQKERVEAGDVIYIEANSGAVKRQGRCDTYATEFDLEAEEYVPLPKGDVHKKKEIIQDVTLHDLDVANARPQGGQDILSMMGQLMKPKKTEITDKLRGEINKVVNKYIDQGIAELVPGVLFVDEVHMLDIECFTYLHRALE...
Q
1.Q
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ADP
1.DA
true
false
427.029419
false
2
1
8x15__1__1.Q_1.R__1.DA
train
8x15
ELECTRON MICROSCOPY
null
true
MATVTATTKVPEIRDVTRIERIGAHSHIRGLGLDDALEPRQASQGMVGQLAARRAAGVVLEMIREGKIAGRAVLIAGQPGTGKTAIAMGMAQALGPDTPFTAIAGSEIFSLEMSKTEALTQAFRRSIGVRIKEETEIIEGEVVEIQIDRPATGTGSKVGKLTLKTTEMETIYDLGTKMIESLTKDKVQAGDVITIDKATGKISKLGRSFTRARDYDAMGSQTKFVQCPDGELQKRKEVVHTVSLHEIDVINSRTQGFLALFSGDTGEIKSEVREQINAKVAEWREEGKAEIIPGVLFIDEVHMLDIESFSFLNRALESDM...
R
1.R
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ADP
1.DA
true
false
427.029419
false
2
1
8x19__1__1.Q_1.R__1.GA
train
8x19
ELECTRON MICROSCOPY
null
true
MKIEEVKSTTKTQRIASHSHVKGLGLDESGLAKQAASGLVGQENAREACGVIVELIKSKKMAGRAVLLAGPPGTGKTALALAIAQELGSKVPFCPMVGSEVYSTEIKKTEVLMENFRRAIGLRIKETKEVYEGEVTELTPCETENPMGGYGKTISHVIIGLKTAKGTKQLKLDPSIFESLQKERVEAGDVIYIEANSGAVKRQGRCDTYATEFDLEAEEYVPLPKGDVHKKKEIIQDVTLHDLDVANARPQGGQDILSMMGQLMKPKKTEITDKLRGEINKVVNKYIDQGIAELVPGVLFVDEVHMLDIECFTYLHRALE...
Q
1.Q
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ADP
1.GA
true
false
427.029419
false
2
1
8x19__1__1.Q_1.R__1.GA
train
8x19
ELECTRON MICROSCOPY
null
true
MATVTATTKVPEIRDVTRIERIGAHSHIRGLGLDDALEPRQASQGMVGQLAARRAAGVVLEMIREGKIAGRAVLIAGQPGTGKTAIAMGMAQALGPDTPFTAIAGSEIFSLEMSKTEALTQAFRRSIGVRIKEETEIIEGEVVEIQIDRPATGTGSKVGKLTLKTTEMETIYDLGTKMIESLTKDKVQAGDVITIDKATGKISKLGRSFTRARDYDAMGSQTKFVQCPDGELQKRKEVVHTVSLHEIDVINSRTQGFLALFSGDTGEIKSEVREQINAKVAEWREEGKAEIIPGVLFIDEVHMLDIESFSFLNRALESDM...
R
1.R
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
ADP
1.GA
true
false
427.029419
false
2
1