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linbc20 commited on
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1 Parent(s): 0ecc073

Add batch 69

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  1. 1fta/1fta_ligand.mol2 +88 -0
  2. 1fta/1fta_ligand.sdf +82 -0
  3. 1fta/1fta_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1fta/1fta_protein_processed_fix.pdb +0 -0
  5. 1h8s/1h8s_ligand.mol2 +104 -0
  6. 1h8s/1h8s_ligand.sdf +96 -0
  7. 1h8s/1h8s_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1h8s/1h8s_protein_processed_fix.pdb +0 -0
  9. 1i8j/1i8j_ligand.mol2 +75 -0
  10. 1i8j/1i8j_ligand.sdf +69 -0
  11. 1i8j/1i8j_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1i8j/1i8j_protein_processed_fix.pdb +0 -0
  13. 1ie9/1ie9_ligand.mol2 +166 -0
  14. 1ie9/1ie9_ligand.sdf +156 -0
  15. 1ie9/1ie9_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1ie9/1ie9_protein_processed_fix.pdb +0 -0
  17. 1k1n/1k1n_ligand.mol2 +180 -0
  18. 1k1n/1k1n_ligand.sdf +170 -0
  19. 1k1n/1k1n_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1k1n/1k1n_protein_processed_fix.pdb +0 -0
  21. 1lf2/1lf2_ligand.mol2 +178 -0
  22. 1lf2/1lf2_ligand.sdf +168 -0
  23. 1lf2/1lf2_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1lf2/1lf2_protein_processed_fix.pdb +0 -0
  25. 1mm7/1mm7_ligand.mol2 +56 -0
  26. 1mm7/1mm7_ligand.sdf +48 -0
  27. 1mm7/1mm7_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1mm7/1mm7_protein_processed_fix.pdb +0 -0
  29. 1tok/1tok_protein_esmfold_aligned_tr_fix.pdb +0 -0
  30. 1tok/1tok_protein_processed_fix.pdb +0 -0
  31. 1u9e/1u9e_ligand.mol2 +72 -0
  32. 1u9e/1u9e_ligand.sdf +62 -0
  33. 1u9e/1u9e_protein_esmfold_aligned_tr_fix.pdb +0 -0
  34. 1u9e/1u9e_protein_processed_fix.pdb +0 -0
  35. 2baj/2baj_ligand.mol2 +112 -0
  36. 2baj/2baj_ligand.sdf +102 -0
  37. 2baj/2baj_protein_esmfold_aligned_tr_fix.pdb +0 -0
  38. 2baj/2baj_protein_processed_fix.pdb +0 -0
  39. 2f80/2f80_ligand.mol2 +169 -0
  40. 2f80/2f80_ligand.sdf +159 -0
  41. 2f80/2f80_protein_esmfold_aligned_tr_fix.pdb +0 -0
  42. 2f80/2f80_protein_processed_fix.pdb +0 -0
  43. 2iit/2iit_ligand.mol2 +113 -0
  44. 2iit/2iit_ligand.sdf +103 -0
  45. 2iit/2iit_protein_esmfold_aligned_tr_fix.pdb +0 -0
  46. 2iit/2iit_protein_processed_fix.pdb +0 -0
  47. 2oa0/2oa0_ligand.mol2 +110 -0
  48. 2oa0/2oa0_ligand.sdf +98 -0
  49. 2oa0/2oa0_protein_esmfold_aligned_tr_fix.pdb +0 -0
  50. 2oa0/2oa0_protein_processed_fix.pdb +0 -0
1fta/1fta_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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+ 1fta_ligand
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+ SMALL
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+ 10 O3' 18.7420 60.4570 13.6240 O.3 1 AMP -0.3864
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+ 12 O2' 20.8820 60.4040 15.2610 O.3 1 AMP -0.3836
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+ 13 C1' 19.4190 60.9940 17.1840 C.3 1 AMP 0.2010
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+ 14 N9 19.0940 60.1790 18.4260 N.pl3 1 AMP -0.1919
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+ 15 C8 17.8710 59.6220 18.7140 C.2 1 AMP 0.1123
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+ 16 N7 17.9640 58.6650 19.6930 N.2 1 AMP -0.2958
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+ 17 C5 19.3050 58.5690 19.9340 C.ar 1 AMP 0.1045
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+ 18 C6 19.9530 57.5990 20.7210 C.ar 1 AMP 0.1298
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+ 19 N6 19.3060 56.8340 21.5720 N.pl3 1 AMP -0.3152
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+ 20 N1 21.3100 57.7680 20.7990 N.ar 1 AMP -0.2698
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+ 21 C2 21.9470 58.4600 19.7950 C.ar 1 AMP 0.0533
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+ 22 N3 21.3370 59.4330 19.0610 N.ar 1 AMP -0.2714
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+ 23 C4 19.9900 59.3740 19.0450 C.ar 1 AMP 0.1613
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+ 25 H2 15.9899 61.4364 14.6192 H 1 AMP 0.0639
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+ 26 H3 18.1491 62.5750 14.9226 H 1 AMP 0.0650
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+ 27 H4 17.6957 59.6117 15.1469 H 1 AMP 0.0648
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+ 28 H5 19.3842 61.1386 13.4643 H 1 AMP 0.2100
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+ 29 H6 19.6423 59.0746 16.1875 H 1 AMP 0.0676
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+ 30 H7 20.9607 59.8543 14.4902 H 1 AMP 0.2101
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+ 31 H8 20.3384 61.5622 17.3886 H 1 AMP 0.0996
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+ 32 H9 16.9406 59.9058 18.2244 H 1 AMP 0.1349
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+ 33 H10 19.8184 56.1357 22.1294 H 1 AMP 0.1820
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+ 34 H11 18.2866 56.9329 21.6814 H 1 AMP 0.1820
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+ 35 H12 22.9816 58.2204 19.5777 H 1 AMP 0.0996
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+ @<TRIPOS>BOND
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+ 2 1 3 ar
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+ 1 AMP 1
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1fta/1fta_ligand.sdf ADDED
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+ M END
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+ $$$$
1fta/1fta_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1fta/1fta_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1h8s/1h8s_ligand.mol2 ADDED
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+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
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+ ###
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+
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+ @<TRIPOS>MOLECULE
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1h8s/1h8s_ligand.sdf ADDED
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+ M END
156
+ $$$$
1ie9/1ie9_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ie9/1ie9_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1k1n/1k1n_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
3
+ ###
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+
5
+ @<TRIPOS>MOLECULE
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+ 1k1n_ligand
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+
1k1n/1k1n_ligand.sdf ADDED
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1k1n/1k1n_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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1lf2/1lf2_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1lf2/1lf2_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1mm7/1mm7_ligand.mol2 ADDED
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1
+ ###
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+ ###
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The diff for this file is too large to render. See raw diff
 
2oa0/2oa0_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff