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PDBbind

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linbc20 commited on
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1 Parent(s): 645a1b4

Add batch 17

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  1. 1cx9/1cx9_ligand.mol2 +76 -0
  2. 1cx9/1cx9_ligand.sdf +70 -0
  3. 1cx9/1cx9_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1cx9/1cx9_protein_processed_fix.pdb +0 -0
  5. 1if7/1if7_ligand.mol2 +112 -0
  6. 1if7/1if7_ligand.sdf +102 -0
  7. 1if7/1if7_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1if7/1if7_protein_processed_fix.pdb +0 -0
  9. 1kzn/1kzn_ligand.mol2 +192 -0
  10. 1kzn/1kzn_ligand.sdf +180 -0
  11. 1kzn/1kzn_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1kzn/1kzn_protein_processed_fix.pdb +0 -0
  13. 1qr3/1qr3_ligand.mol2 +284 -0
  14. 1qr3/1qr3_ligand.sdf +274 -0
  15. 1qr3/1qr3_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1qr3/1qr3_protein_processed_fix.pdb +0 -0
  17. 1unl/1unl_ligand.mol2 +122 -0
  18. 1unl/1unl_ligand.sdf +112 -0
  19. 1unl/1unl_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1unl/1unl_protein_processed_fix.pdb +0 -0
  21. 1v2q/1v2q_ligand.mol2 +127 -0
  22. 1v2q/1v2q_ligand.sdf +115 -0
  23. 1v2q/1v2q_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1v2q/1v2q_protein_processed_fix.pdb +0 -0
  25. 1xhm/1xhm_ligand.mol2 +430 -0
  26. 1xhm/1xhm_ligand.sdf +424 -0
  27. 1xhm/1xhm_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1xhm/1xhm_protein_processed_fix.pdb +0 -0
  29. 1xpz/1xpz_ligand.mol2 +98 -0
  30. 1xpz/1xpz_ligand.sdf +88 -0
  31. 1xpz/1xpz_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 1xpz/1xpz_protein_processed_fix.pdb +0 -0
  33. 1ym1/1ym1_ligand.mol2 +87 -0
  34. 1ym1/1ym1_ligand.sdf +79 -0
  35. 1ym1/1ym1_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1ym1/1ym1_protein_processed_fix.pdb +0 -0
  37. 2c6k/2c6k_ligand.mol2 +115 -0
  38. 2c6k/2c6k_ligand.sdf +105 -0
  39. 2c6k/2c6k_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 2c6k/2c6k_protein_processed_fix.pdb +0 -0
  41. 2ctc/2ctc_ligand.mol2 +58 -0
  42. 2ctc/2ctc_ligand.sdf +50 -0
  43. 2ctc/2ctc_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 2ctc/2ctc_protein_processed_fix.pdb +0 -0
  45. 2fqw/2fqw_ligand.mol2 +80 -0
  46. 2fqw/2fqw_ligand.sdf +70 -0
  47. 2fqw/2fqw_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 2fqw/2fqw_protein_processed_fix.pdb +0 -0
  49. 2fwp/2fwp_ligand.mol2 +51 -0
  50. 2fwp/2fwp_ligand.sdf +47 -0
1cx9/1cx9_ligand.mol2 ADDED
@@ -0,0 +1,76 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
3
+ ###
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+
5
+ @<TRIPOS>MOLECULE
6
+ 1cx9_ligand
7
+ 30 30 1 0 0
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+ SMALL
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+ GAST_HUCK
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+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C1 49.2940 24.2980 15.4810 C.ar 1 NHP -0.0613
14
+ 2 C2 49.6810 25.6430 15.5410 C.ar 1 NHP 0.0329
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+ 3 C3 51.0000 26.0310 15.1670 C.ar 1 NHP 0.0482
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+ 4 C4 51.9090 25.0420 14.7490 C.ar 1 NHP -0.0503
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+ 5 C5 51.5190 23.6980 14.6950 C.ar 1 NHP -0.0806
18
+ 6 C6 50.2160 23.3310 15.0610 C.ar 1 NHP -0.0812
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+ 7 N1 51.4280 27.3930 15.2090 N.pl3 1 NHP -0.3394
20
+ 8 S1 48.5390 26.8890 16.0770 S.3 1 NHP -0.1094
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+ 9 C7 47.6900 27.6830 14.7040 C.3 1 NHP 0.0048
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+ 10 C8 48.6740 28.0430 13.5890 C.3 1 NHP -0.0409
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+ 11 C9 47.9300 28.7080 12.4380 C.3 1 NHP -0.0371
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+ 12 C10 48.8770 29.3840 11.4430 C.3 1 NHP 0.0196
25
+ 13 P1 48.2520 29.4710 9.8280 P.3 1 NHP 0.0579
26
+ 14 O1 49.0680 30.3190 8.9180 O.co2 1 NHP -0.5623
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+ 15 O2 46.8430 30.0480 9.7120 O.co2 1 NHP -0.5623
28
+ 16 O3 48.1770 28.1410 9.0890 O.co2 1 NHP -0.5623
29
+ 17 H1 48.2871 24.0074 15.7580 H 1 NHP 0.0527
30
+ 18 H2 52.9175 25.3220 14.4670 H 1 NHP 0.0493
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+ 19 H3 52.2243 22.9415 14.3703 H 1 NHP 0.0525
32
+ 20 H4 49.9196 22.2892 15.0185 H 1 NHP 0.0487
33
+ 21 H5 50.7746 28.1290 15.5127 H 1 NHP 0.1698
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+ 22 H6 52.3900 27.6392 14.9355 H 1 NHP 0.1698
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+ 23 H7 47.2024 28.6008 15.0643 H 1 NHP 0.0398
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+ 24 H8 46.9292 26.9959 14.3051 H 1 NHP 0.0398
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+ 25 H9 49.1651 27.1281 13.2260 H 1 NHP 0.0275
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+ 26 H10 49.4331 28.7356 13.9816 H 1 NHP 0.0275
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+ 27 H11 47.2493 29.4678 12.8496 H 1 NHP 0.0279
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+ 28 H12 47.3463 27.9425 11.9057 H 1 NHP 0.0279
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+ 29 H13 49.8186 28.8159 11.4200 H 1 NHP 0.0451
42
+ 30 H14 49.0748 30.4077 11.7936 H 1 NHP 0.0451
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+ @<TRIPOS>BOND
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+ 1 1 2 ar
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+ 2 1 6 ar
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+ 3 2 3 ar
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+ 4 2 8 1
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+ 5 3 4 ar
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+ 6 3 7 1
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+ 7 4 5 ar
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+ 8 5 6 ar
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+ 9 8 9 1
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+ 11 10 11 1
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+ 13 12 13 1
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+ 14 13 14 ar
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+ 15 13 15 ar
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+ 16 13 16 ar
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+ 17 1 17 1
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+ 18 4 18 1
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+ 19 5 19 1
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+ 20 6 20 1
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+ 30 12 30 1
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+ @<TRIPOS>SUBSTRUCTURE
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+ 1 NHP 1
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+
1cx9/1cx9_ligand.sdf ADDED
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+ 1cx9_ligand
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+ -I-interpret-
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+
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+ 49.2940 24.2980 15.4810 C 0 0 0 0 0
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+ 49.6810 25.6430 15.5410 C 0 0 0 0 0
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+ 51.0000 26.0310 15.1670 C 0 0 0 0 0
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+ 51.9090 25.0420 14.7490 C 0 0 0 0 0
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+ 51.5190 23.6980 14.6950 C 0 0 0 0 0
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+ 50.2160 23.3310 15.0610 C 0 0 0 0 0
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+ 51.4280 27.3930 15.2090 N 0 0 0 0 0
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+ 48.5390 26.8890 16.0770 S 0 0 0 0 0
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+ 47.6900 27.6830 14.7040 C 0 0 0 0 0
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+ 48.6740 28.0430 13.5890 C 0 0 0 0 0
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+ 47.9300 28.7080 12.4380 C 0 0 0 0 0
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+ 48.8770 29.3840 11.4430 C 0 0 0 0 0
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+ 46.9458 26.9933 14.3058 H 0 0 0 0 0
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+ 15 31 1 0 0 0
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+ 16 32 1 0 0 0
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+ M END
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+ $$$$
1cx9/1cx9_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1cx9/1cx9_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1if7/1if7_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
3
+ ###
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+
5
+ @<TRIPOS>MOLECULE
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+ 1if7_ligand
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+ 47 49 1 0 0
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+ SMALL
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+ GAST_HUCK
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+
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+
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+ @<TRIPOS>ATOM
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+ 2 C02 -2.4830 6.7100 13.1760 C.3 1 SBR 0.0028
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+ 3 C03 -2.9290 5.5870 12.2330 C.3 1 SBR 0.0354
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+ 5 C05 -4.4140 4.2160 13.6600 C.2 1 SBR 0.2049
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+ 9 C09 -4.1770 0.8990 15.4200 C.ar 1 SBR -0.0295
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+
1if7/1if7_ligand.sdf ADDED
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36
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58
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59
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61
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62
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63
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64
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66
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67
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69
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71
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72
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73
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74
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75
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77
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101
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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121
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122
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123
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124
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125
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126
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127
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128
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130
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132
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134
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135
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137
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The diff for this file is too large to render. See raw diff
 
1qr3/1qr3_protein_processed_fix.pdb ADDED
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+ ###
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+ $$$$
1unl/1unl_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1unl/1unl_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1v2q/1v2q_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:51 2018
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+ ###
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+
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+ $$$$
1xhm/1xhm_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1xhm/1xhm_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1xpz/1xpz_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:52 2018
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+ ###
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The diff for this file is too large to render. See raw diff
 
2fqw/2fqw_protein_processed_fix.pdb ADDED
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1
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