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linbc20 commited on
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4149158
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1 Parent(s): 71b9d45

Add 1hy7

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Files changed (4) hide show
  1. 1hy7_ligand.mol2 +113 -0
  2. 1hy7_ligand.sdf +105 -0
  3. 1hy7_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1hy7_protein_processed_fix.pdb +0 -0
1hy7_ligand.mol2 ADDED
@@ -0,0 +1,113 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
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+ ###
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+
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+ @<TRIPOS>MOLECULE
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+ 1hy7_ligand
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+ 48 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 O6 -3.4580 49.9780 47.1030 O.3 1 MBS -0.3705
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+ 3 C16 -3.5180 50.3600 48.4840 C.3 1 MBS 0.1079
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+ 4 C12 -2.1650 50.4140 49.1850 C.1 1 MBS -0.0738
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+ 5 C4 -1.1020 50.4290 49.7690 C.1 1 MBS -0.0963
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+ 6 C3 0.2030 50.4460 50.4360 C.3 1 MBS 0.0406
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+ 7 C2 0.7610 49.4910 51.4870 C.3 1 MBS 0.1005
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+ 8 C1 0.0050 49.5450 52.7860 C.2 1 MBS 0.0573
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+ 9 O2 0.2090 50.4150 53.6330 O.co2 1 MBS -0.5670
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+ 10 O1 -0.8660 48.5890 53.0210 O.co2 1 MBS -0.5670
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+ 11 N1 2.0810 49.9510 51.8400 N.am 1 MBS -0.2307
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+ 12 S11 3.2940 49.0350 52.6110 S.o2 1 MBS 0.0693
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+ 13 O3 3.4030 47.6230 51.9970 O.2 1 MBS -0.1504
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+ 14 O4 4.5890 49.9090 52.3640 O.2 1 MBS -0.1504
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+ 15 C21 3.0210 48.7920 54.2990 C.ar 1 MBS 0.1068
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+ 16 C22 3.2620 49.8260 55.1990 C.ar 1 MBS -0.0363
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+ 17 C23 3.0870 49.6390 56.5710 C.ar 1 MBS -0.0548
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+ 18 C24 2.6670 48.4120 57.0600 C.ar 1 MBS -0.0246
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+ 19 C25 2.4550 47.3620 56.1510 C.ar 1 MBS -0.0548
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+ 20 C26 2.5970 47.5490 54.7780 C.ar 1 MBS -0.0363
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+ 21 C6 2.5690 48.2330 58.4290 C.ar 1 MBS -0.0279
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+ 22 C32 2.5560 46.9260 58.9250 C.ar 1 MBS -0.0616
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+ 23 C33 2.5300 46.6790 60.2830 C.ar 1 MBS -0.0312
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+ 24 C34 2.5800 47.7350 61.1610 C.ar 1 MBS 0.0926
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+ 25 C35 2.6260 49.0600 60.6950 C.ar 1 MBS -0.0312
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+ 26 C36 2.6510 49.3010 59.3280 C.ar 1 MBS -0.0616
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+ 27 O5 2.5510 47.4740 62.3710 O.3 1 MBS -0.3200
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+ 28 C7 2.9470 48.4090 63.3140 C.3 1 MBS 0.0599
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+ 29 H1 -4.6552 49.7938 45.4151 H 1 MBS 0.0524
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+ 30 H2 -5.0836 51.1370 46.5281 H 1 MBS 0.0524
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+ 31 H3 -5.4611 49.4402 46.9810 H 1 MBS 0.0524
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+ 32 H4 -4.1507 49.6331 49.0143 H 1 MBS 0.0697
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+ 33 H5 -3.9763 51.3581 48.5447 H 1 MBS 0.0697
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+ 34 H6 0.2520 51.4356 50.9137 H 1 MBS 0.0434
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+ 35 H7 0.9306 50.4000 49.6124 H 1 MBS 0.0434
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+ 36 H8 0.7788 48.4653 51.0899 H 1 MBS 0.0689
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+ 37 H9 2.3064 50.8979 51.6106 H 1 MBS 0.1697
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+ 38 H10 3.5904 50.7905 54.8290 H 1 MBS 0.0633
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+ 39 H11 3.2802 50.4562 57.2565 H 1 MBS 0.0609
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+ 40 H12 2.1747 46.3845 56.5265 H 1 MBS 0.0609
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+ 41 H13 2.3813 46.7403 54.0891 H 1 MBS 0.0633
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+ 42 H14 2.5665 46.0927 58.2318 H 1 MBS 0.0601
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+ 43 H15 2.4707 45.6619 60.6532 H 1 MBS 0.0548
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+ 44 H16 2.6418 49.8863 61.3965 H 1 MBS 0.0548
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+ 45 H17 2.7340 50.3164 58.9577 H 1 MBS 0.0601
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+ 46 H18 2.8448 47.9795 64.3215 H 1 MBS 0.0579
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+ 47 H19 2.3134 49.3044 63.2312 H 1 MBS 0.0579
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+ 48 H20 3.9971 48.6853 63.1380 H 1 MBS 0.0579
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+ @<TRIPOS>BOND
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+ 1 1 2 1
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+ 2 2 3 1
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+ 4 4 5 3
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+ 5 5 6 1
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+ 6 6 7 1
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+ 8 7 8 1
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+ 9 8 10 ar
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+ 10 8 9 ar
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+ 11 11 12 am
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+ @<TRIPOS>SUBSTRUCTURE
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+ 1 MBS 1
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+
1hy7_ligand.sdf ADDED
@@ -0,0 +1,105 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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+ 1hy7_ligand
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+ -I-interpret-
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+
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+ M END
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+ $$$$
1hy7_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1hy7_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff