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THU-ATOM
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PDBbind

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linbc20 commited on
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1 Parent(s): 4e404f9

Add batch 119

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  1. 1cps/1cps_ligand.mol2 +78 -0
  2. 1cps/1cps_ligand.sdf +70 -0
  3. 1cps/1cps_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1cps/1cps_protein_processed_fix.pdb +0 -0
  5. 1g7v/1g7v_ligand.mol2 +99 -0
  6. 1g7v/1g7v_ligand.sdf +99 -0
  7. 1g7v/1g7v_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1g7v/1g7v_protein_processed_fix.pdb +0 -0
  9. 1k22/1k22_ligand.mol2 +144 -0
  10. 1k22/1k22_ligand.sdf +134 -0
  11. 1k22/1k22_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1k22/1k22_protein_processed_fix.pdb +0 -0
  13. 1njt/1njt_ligand.mol2 +161 -0
  14. 1njt/1njt_ligand.sdf +153 -0
  15. 1njt/1njt_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1njt/1njt_protein_processed_fix.pdb +0 -0
  17. 1q6k/1q6k_ligand.mol2 +96 -0
  18. 1q6k/1q6k_ligand.sdf +86 -0
  19. 1q6k/1q6k_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1q6k/1q6k_protein_processed_fix.pdb +0 -0
  21. 1t49/1t49_ligand.mol2 +127 -0
  22. 1t49/1t49_ligand.sdf +117 -0
  23. 1t49/1t49_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1t49/1t49_protein_processed_fix.pdb +0 -0
  25. 1t69/1t69_ligand.mol2 +94 -0
  26. 1t69/1t69_ligand.sdf +84 -0
  27. 1t69/1t69_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1t69/1t69_protein_processed_fix.pdb +0 -0
  29. 1ukh/1ukh_ligand.mol2 +372 -0
  30. 1ukh/1ukh_ligand.sdf +362 -0
  31. 1ukh/1ukh_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 1ukh/1ukh_protein_processed_fix.pdb +0 -0
  33. 1wc6/1wc6_ligand.mol2 +106 -0
  34. 1wc6/1wc6_ligand.sdf +102 -0
  35. 1wc6/1wc6_protein_processed_fix.pdb +0 -0
  36. 2c4f/2c4f_ligand.mol2 +172 -0
  37. 2c4f/2c4f_ligand.sdf +162 -0
  38. 2c4f/2c4f_protein_esmfold_aligned_tr_fix.pdb +0 -0
  39. 2c4f/2c4f_protein_processed_fix.pdb +0 -0
  40. 2is0/2is0_ligand.mol2 +162 -0
  41. 2is0/2is0_ligand.sdf +152 -0
  42. 2is0/2is0_protein_esmfold_aligned_tr_fix.pdb +0 -0
  43. 2is0/2is0_protein_processed_fix.pdb +0 -0
  44. 2jh5/2jh5_ligand.mol2 +118 -0
  45. 2jh5/2jh5_ligand.sdf +108 -0
  46. 2jh5/2jh5_protein_esmfold_aligned_tr_fix.pdb +0 -0
  47. 2jh5/2jh5_protein_processed_fix.pdb +0 -0
  48. 2l65/2l65_ligand.mol2 +350 -0
  49. 2l65/2l65_ligand.sdf +340 -0
  50. 2l65/2l65_protein_esmfold_aligned_tr_fix.pdb +0 -0
1cps/1cps_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
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+ ###
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+
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+ @<TRIPOS>MOLECULE
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+ 1cps_ligand
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+ 31 31 1 0 0
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+ SMALL
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+ GAST_HUCK
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+
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+ @<TRIPOS>ATOM
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+ 5 CB -2.9750 31.1660 -8.9400 C.3 1 CPM -0.0033
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+ 13 S -2.8410 29.7170 -5.1960 S.o2 1 CPM -0.2221
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+ 14 N1 -3.8140 28.5090 -5.6640 N.2 1 CPM -0.2400
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+ 21 H5 -4.0407 31.4337 -8.8880 H 1 CPM 0.0447
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+ 22 H6 -4.8614 29.8617 -10.8168 H 1 CPM 0.0557
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+ 26 H10 -1.9615 28.6798 -13.7791 H 1 CPM 0.0559
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+ 27 H11 -4.0102 27.7470 -5.0340 H 1 CPM 0.2056
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+ 28 H12 -1.2906 28.6647 -3.9475 H 1 CPM 0.2056
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+ 29 H13 -3.6940 29.9010 -3.0080 H 1 CPM 0.0433
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+ 30 H14 -4.6443 30.8560 -4.1960 H 1 CPM 0.0433
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+ 31 H15 -3.0518 31.4606 -3.6261 H 1 CPM 0.0433
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+ @<TRIPOS>BOND
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+ 1 1 2 1
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+ 5 3 4 ar
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+ 6 3 12 ar
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+ 7 5 6 1
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+ 9 6 8 ar
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+ 10 7 9 ar
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+ @<TRIPOS>SUBSTRUCTURE
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+ 1 CPM 1
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+
1cps/1cps_ligand.sdf ADDED
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+ M END
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+ $$$$
1cps/1cps_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1cps/1cps_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1g7v/1g7v_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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+
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+ @<TRIPOS>MOLECULE
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+ 1g7v_ligand
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+ GAST_HUCK
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+ @<TRIPOS>ATOM
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+ 4 O3P 7.1910 103.1300 78.8710 O.3 1 PAI -0.2734
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+ 5 O4P 8.9520 101.9100 80.5560 O.co2 1 PAI -0.5537
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1g7v/1g7v_ligand.sdf ADDED
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1g7v/1g7v_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1g7v/1g7v_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1k22/1k22_ligand.mol2 ADDED
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1k22/1k22_ligand.sdf ADDED
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+ $$$$
1k22/1k22_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1k22/1k22_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1njt/1njt_ligand.mol2 ADDED
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1
+ ###
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+ ###
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15
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18
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40
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42
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43
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44
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45
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46
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47
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48
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49
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50
+ 38 H3 51.0665 73.4128 20.7729 H 1 ACE 0.0467
51
+ 39 H4 49.5262 72.7711 17.9024 H 1 VAL 0.1883
52
+ 40 H5 50.3837 69.9323 17.7695 H 1 VAL 0.0802
53
+ 41 H6 47.4862 70.8725 18.1307 H 1 VAL 0.0343
54
+ 42 H7 46.9394 68.4625 18.0731 H 1 VAL 0.0234
55
+ 43 H8 48.6573 68.0820 17.7118 H 1 VAL 0.0234
56
+ 44 H9 47.6741 69.0077 16.5273 H 1 VAL 0.0234
57
+ 45 H10 48.8334 70.8477 20.2137 H 1 VAL 0.0234
58
+ 46 H11 49.3172 69.1507 19.8781 H 1 VAL 0.0234
59
+ 47 H12 47.5971 69.5445 20.2144 H 1 VAL 0.0234
60
+ 48 H13 50.0861 68.9426 15.8000 H 1 DMK 0.1883
61
+ 49 H14 49.0403 70.7098 13.6198 H 1 DMK 0.0797
62
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63
+ 51 H16 51.1917 67.5734 13.9260 H 1 DMK 0.0229
64
+ 52 H17 51.8980 68.8716 14.9470 H 1 DMK 0.0229
65
+ 53 H18 49.9634 69.8941 11.2111 H 1 DMK 0.0229
66
+ 54 H19 50.0786 68.1736 11.7144 H 1 DMK 0.0229
67
+ 55 H20 51.5547 69.0607 11.2035 H 1 DMK 0.0229
68
+ 56 H21 47.4030 69.9321 12.5097 H 1 DMH 0.1885
69
+ 57 H22 46.6319 67.0868 12.9435 H 1 DMH 0.0826
70
+ 58 H23 44.3431 67.8577 12.2769 H 1 DMH 0.0551
71
+ 59 H24 44.9763 69.5356 12.1747 H 1 DMH 0.0551
72
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73
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75
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77
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78
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79
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80
+ 68 H33 44.8129 66.0788 8.3574 H 1 ALA 0.0580
81
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1njt/1njt_protein_processed_fix.pdb ADDED
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1q6k/1q6k_ligand.mol2 ADDED
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1q6k/1q6k_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1q6k/1q6k_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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1t49/1t49_protein_processed_fix.pdb ADDED
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1t69/1t69_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1t69/1t69_protein_processed_fix.pdb ADDED
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+ M END
362
+ $$$$
1ukh/1ukh_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ukh/1ukh_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1wc6/1wc6_ligand.mol2 ADDED
@@ -0,0 +1,106 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:52 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1wc6_ligand
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+ 44 46 1 0 0
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+
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+ @<TRIPOS>ATOM
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+ 5 PB 4.9440 29.7720 50.6530 P.3 1 TAT 0.3753
18
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+ 9 PA 3.5440 32.2320 50.0240 P.3 1 TAT 0.3723
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2is0/2is0_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2is0/2is0_protein_processed_fix.pdb ADDED
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+ M END
340
+ $$$$
2l65/2l65_protein_esmfold_aligned_tr_fix.pdb ADDED
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