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Datasets:
linbc20
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allosteric_orthosteric

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linbc20 commited on
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1 Parent(s): 97bcc1e

Add batch 3

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Files changed (27) hide show
  1. P62593_bla_allosteric_1PZP/ligand.sdf +108 -0
  2. P62593_bla_allosteric_1PZP/receptor_holo_prot_msa.a3m +0 -0
  3. P62593_bla_allosteric_1PZP/receptor_holo_prot_system.cif +0 -0
  4. P62593_bla_orthosteric_1AXB/ligand.sdf +36 -0
  5. P62593_bla_orthosteric_1AXB/receptor_holo_prot_msa.a3m +0 -0
  6. P62593_bla_orthosteric_1AXB/receptor_holo_prot_system.cif +0 -0
  7. P68400_CSNK2A1_allosteric_6FVF/ligand.sdf +106 -0
  8. P68400_CSNK2A1_allosteric_6FVF/receptor_holo_prot_msa.a3m +0 -0
  9. P68400_CSNK2A1_allosteric_6FVF/receptor_holo_prot_system.cif +0 -0
  10. P68400_CSNK2A1_orthosteric_3PE2/ligand.sdf +61 -0
  11. P68400_CSNK2A1_orthosteric_3PE2/receptor_holo_prot_msa.a3m +0 -0
  12. P68400_CSNK2A1_orthosteric_3PE2/receptor_holo_prot_system.cif +0 -0
  13. Q05397_PTK2_allosteric_4EBV/ligand.sdf +83 -0
  14. Q05397_PTK2_allosteric_4EBV/receptor_holo_prot_msa.a3m +0 -0
  15. Q05397_PTK2_allosteric_4EBV/receptor_holo_prot_system.cif +0 -0
  16. Q05397_PTK2_orthosteric_2IJM/ligand.sdf +132 -0
  17. Q05397_PTK2_orthosteric_2IJM/receptor_holo_prot_msa.a3m +0 -0
  18. Q05397_PTK2_orthosteric_2IJM/receptor_holo_prot_system.cif +0 -0
  19. Q05397_PTK2_orthosteric_3BZ3/ligand.sdf +79 -0
  20. Q05397_PTK2_orthosteric_3BZ3/receptor_holo_prot_msa.a3m +0 -0
  21. Q05397_PTK2_orthosteric_3BZ3/receptor_holo_prot_system.cif +0 -0
  22. Q16539_MAPK14_allosteric_3NEW/ligand.sdf +56 -0
  23. Q16539_MAPK14_allosteric_3NEW/receptor_holo_prot_msa.a3m +0 -0
  24. Q16539_MAPK14_allosteric_3NEW/receptor_holo_prot_system.cif +0 -0
  25. Q16539_MAPK14_orthosteric_3KF7/ligand.sdf +67 -0
  26. Q16539_MAPK14_orthosteric_3KF7/receptor_holo_prot_msa.a3m +0 -0
  27. Q16539_MAPK14_orthosteric_3KF7/receptor_holo_prot_system.cif +0 -0
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P62593_bla_allosteric_1PZP/receptor_holo_prot_system.cif ADDED
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P62593_bla_orthosteric_1AXB/receptor_holo_prot_system.cif ADDED
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+ 33.8240 38.0130 27.3040 C 0 0 0 0 0 0 0 0 0 0 0 0
28
+ 32.9300 37.6150 26.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
29
+ 33.1000 38.0240 24.9990 C 0 0 0 0 0 0 0 0 0 0 0 0
30
+ 35.9200 39.2670 27.9010 C 0 0 0 0 0 0 0 0 0 0 0 0
31
+ 35.8070 38.7430 29.1580 N 0 0 0 0 0 0 0 0 0 0 0 0
32
+ 36.7690 40.0650 27.5170 O 0 0 0 0 0 0 0 0 0 0 0 0
33
+ 32.0820 37.6070 23.9750 C 0 0 0 0 0 0 0 0 0 0 0 0
34
+ 2 1 1 0
35
+ 3 2 1 0
36
+ 4 3 1 0
37
+ 5 4 1 0
38
+ 6 5 1 0
39
+ 6 1 1 0
40
+ 7 3 1 0
41
+ 8 2 1 0
42
+ 9 8 1 0
43
+ 9 7 1 0
44
+ 10 5 1 0
45
+ 11 10 1 0
46
+ 12 11 1 0
47
+ 13 12 1 0
48
+ 14 13 1 0
49
+ 15 14 1 0
50
+ 16 15 1 0
51
+ 17 16 1 0
52
+ 17 12 1 0
53
+ 18 13 1 0
54
+ 19 15 1 0
55
+ 20 7 1 1
56
+ 21 20 1 0
57
+ 22 21 1 0
58
+ 23 22 1 0
59
+ 24 23 1 0
60
+ 25 24 1 0
61
+ 25 20 1 0
62
+ 26 22 1 0
63
+ 27 26 1 0
64
+ 28 26 1 0
65
+ 29 25 1 0
66
+ M END
67
+ $$$$
Q16539_MAPK14_orthosteric_3KF7/receptor_holo_prot_msa.a3m ADDED
The diff for this file is too large to render. See raw diff
 
Q16539_MAPK14_orthosteric_3KF7/receptor_holo_prot_system.cif ADDED
The diff for this file is too large to render. See raw diff