Receptor
PDB id Resolution Class Description Source Keywords
1XI9 2.33 Å EC: 2.-.-.- ALANINE AMINOTRANSFERASE FROM PYROCOCCUS FURIOSUS PFU-139707 PYROCOCCUS FURIOSUS ALANINE AMINOTRANSFERASE PYROCOCCUS FURIOSUS SOUTHEAST COLLABORATORY FOR STRUCTURAL GENOMICS SECSG HYPERTHERMOPHPROTEIN STRUCTURE INITIATIVE PSI TRANSFERASE
Ref.: ALANINE AMINOTRANSFERASE FROM PYROCOCCUS FURIOSUS PFU-1397077-001 TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLP A:501;
B:501;
C:501;
D:501;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XI9 2.33 Å EC: 2.-.-.- ALANINE AMINOTRANSFERASE FROM PYROCOCCUS FURIOSUS PFU-139707 PYROCOCCUS FURIOSUS ALANINE AMINOTRANSFERASE PYROCOCCUS FURIOSUS SOUTHEAST COLLABORATORY FOR STRUCTURAL GENOMICS SECSG HYPERTHERMOPHPROTEIN STRUCTURE INITIATIVE PSI TRANSFERASE
Ref.: ALANINE AMINOTRANSFERASE FROM PYROCOCCUS FURIOSUS PFU-1397077-001 TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 1XI9 - PLP C8 H10 N O6 P Cc1c(c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 1XI9 - PLP C8 H10 N O6 P Cc1c(c(c(c....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1GDE - GLU PLP n/a n/a
2 1V2F - HCI C9 H10 O2 c1ccc(cc1)....
3 1U08 - PLP C8 H10 N O6 P Cc1c(c(c(c....
4 1GCK - ASP PLP n/a n/a
5 1XI9 - PLP C8 H10 N O6 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLP; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 PLP 1 1
2 PZP 0.729167 0.843137
3 EXT 0.62069 0.8
4 AN7 0.603448 0.918367
5 EPC 0.603448 0.862745
6 FOO 0.59322 0.849057
7 PLR 0.58 0.895833
8 4LM 0.57377 0.818182
9 0JO 0.57377 0.803571
10 P3D 0.571429 0.704918
11 MPM 0.564516 0.814815
12 KOU 0.555556 0.836364
13 HCP 0.546875 0.77193
14 6DF 0.545455 0.811321
15 PXL 0.541667 0.659574
16 Z98 0.537313 0.75
17 PXP 0.537037 0.862745
18 PMP 0.527273 0.767857
19 P0P 0.527273 0.916667
20 PL6 0.522388 0.818182
21 GT1 0.517857 0.830189
22 PFM 0.514706 0.803571
23 LLP 0.5 0.737705
24 PL5 0.479452 0.775862
25 PUS 0.479452 0.707692
26 MPL 0.473684 0.836364
27 PLG 0.46875 0.75
28 IN5 0.46875 0.758621
29 P89 0.466667 0.714286
30 PLP PUT 0.463768 0.684211
31 5DK 0.460526 0.725806
32 O1G 0.454545 0.75
33 PLP ABU 0.450704 0.706897
34 PLT 0.439024 0.762712
35 X04 0.431034 0.851852
36 PP3 0.426471 0.762712
37 P1T 0.426471 0.714286
38 PDD 0.426471 0.762712
39 PDA 0.426471 0.762712
40 IK2 0.42029 0.714286
41 33P 0.42029 0.745763
42 2BO 0.414286 0.793103
43 PLS 0.414286 0.779661
44 PMH 0.414286 0.619718
45 5PA 0.414286 0.714286
46 TLP 0.414286 0.793103
47 2BK 0.414286 0.793103
48 C6P 0.408451 0.75
49 PPD 0.408451 0.75
50 QLP 0.405405 0.681818
51 MP5 0.403509 0.666667
52 PY5 0.402778 0.703125
53 PLA 0.402778 0.703125
54 HEY 0.4 0.703125
55 PLP PHE 0.4 0.732143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XI9; Ligand: PLP; Similar sites found: 70
This union binding pocket(no: 1) in the query (biounit: 1xi9.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4B98 PXG 0.0141 0.40694 1.72414
2 2WK9 PLG 0.001725 0.47375 2.05656
3 2WK9 PLP 0.002901 0.45935 2.05656
4 5IWQ PLP 0.00000662 0.5312 2.46305
5 1YAA MAE 0.002314 0.42638 2.46305
6 1FC4 AKB PLP 0.001848 0.45256 2.49377
7 4AZJ SEP PLP 0.001543 0.46043 2.77778
8 1JS3 PLP 142 0.007611 0.42212 3.20197
9 3ZRR PXG 0.004096 0.43738 3.44828
10 3VP6 HLD 0.01662 0.41336 3.69458
11 2Z9V PXM 0.008018 0.41242 4.08163
12 1E5F PLP 0.0005678 0.47326 4.20792
13 4AZ6 OAN 0.01384 0.4033 4.92611
14 3O75 F1X 0.01075 0.40866 5.14706
15 2WA4 069 0.004778 0.4028 5.44413
16 2FYF PLP 0.008232 0.40708 5.52764
17 4XIZ LPP 0.04363 0.40028 5.88235
18 1KOJ PAN 0.01639 0.40733 6.40394
19 4LNL 2BO 0.01199 0.40843 6.60661
20 4LNL PLG 0.01391 0.40319 6.60661
21 2XBN PMP 0.005554 0.43913 6.65025
22 1TOI HCI 0.00108 0.5111 6.81818
23 4CYI ATP 0.01941 0.4019 7.14286
24 1DFO PLG 0.01938 0.40368 7.88177
25 5DJ3 5DK 0.00001438 0.55682 7.97872
26 3U2U UDP 0.02098 0.41708 7.98479
27 2E2R 2OH 0.03332 0.40862 8.19672
28 1CL2 PPG 0.01151 0.41502 8.60759
29 4RKC PMP 0.000001262 0.54483 9.04523
30 5X2Z 3LM 0.0005668 0.48961 10.5528
31 5X30 7XF 0.0003491 0.42657 10.5528
32 5X30 4LM 0.001542 0.40384 10.5528
33 1DB1 VDX 0.0396 0.40252 10.8108
34 3WGC PLG 0.01301 0.40671 11.8227
35 5W71 9YM 0.01546 0.43232 12.3153
36 5W71 PLP 0.00645 0.42372 12.3153
37 5K8B PDG 0.01828 0.40823 13.5468
38 3FRK TQP 0.01984 0.41721 13.941
39 4K2M O1G 0.02436 0.40191 14.2857
40 4WVW SLT 0.01271 0.40062 14.5833
41 4IYO 0JO 0.0003843 0.48849 14.8615
42 4IY7 0JO 0.0003297 0.41842 14.8615
43 4IY7 KOU 0.0004961 0.41512 14.8615
44 2AY3 MPP 0.0004975 0.47354 14.9746
45 5W70 9YM 0.003405 0.44138 15.0246
46 1AJS PLA 0.0000003809 0.64602 20.4433
47 2HOX P1T 0.0000000007431 0.76867 22.1675
48 2R2N PMP 0.00000006795 0.61276 22.6601
49 2R2N KYN 0.00000004675 0.4626 22.6601
50 1LC8 33P 0.00001257 0.42735 26.0989
51 4JE5 PMP 0.0000001271 0.61828 27.0936
52 4JE5 PLP 0.0000001559 0.61442 27.0936
53 4R5Z PMP 0.0000004992 0.49494 27.5204
54 4R5Z SIN 0.0000009609 0.44931 27.5204
55 3PDB PMP 0.0000006122 0.61115 29.4264
56 3PD6 PMP 0.000000691 0.60479 29.4264
57 3CQ5 PMP 0.00000004185 0.64356 30.8943
58 1UU1 PMP HSA 0.0000008622 0.49855 31.6418
59 2R5C C6P 0.00000005116 0.68108 32.634
60 2R5E QLP 0.0000001146 0.66367 32.634
61 2ZYJ PGU 0.00000001486 0.72531 35.0126
62 1GEX PLP HSA 0.0000001672 0.66918 35.1124
63 3E2Y PMP 0.0000001317 0.64332 35.468
64 1M7Y PPG 0.0000002812 0.66674 36.6995
65 1LW4 TLP 0.0049 0.4316 39.7695
66 1LW4 PLP 0.004469 0.42946 39.7695
67 3B1E P1T 0.0000006789 0.6126 40.5612
68 4FL0 PLP 0.0000000007459 0.75163 41.3793
69 3EI9 PL6 0.00000004853 0.5132 41.6256
70 2ZC0 PMP 0.00000005581 0.67258 46.798
Pocket No.: 2; Query (leader) PDB : 1XI9; Ligand: PLP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1xi9.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1XI9; Ligand: PLP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1xi9.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1XI9; Ligand: PLP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1xi9.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1XI9; Ligand: PLP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1xi9.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1XI9; Ligand: PLP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1xi9.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1XI9; Ligand: PLP; Similar sites found: 6
This union binding pocket(no: 7) in the query (biounit: 1xi9.bio3) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1XPM CAA 0.0204 0.41158 3.0303
2 5ML3 DL3 0.02188 0.42039 5.36913
3 3H4V NAP 0.02641 0.42068 6.25
4 3H4V DVP 0.02916 0.41922 6.25
5 3EPO MP5 0.009927 0.41639 6.89655
6 3PD6 KYN 0.0003733 0.4515 29.4264
Pocket No.: 8; Query (leader) PDB : 1XI9; Ligand: PLP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1xi9.bio3) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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