Receptor
PDB id Resolution Class Description Source Keywords
4BA5 1.76 Å EC: 2.6.1.18 CRYSTAL STRUCTURE OF OMEGA-TRANSAMINASE FROM CHROMOBACTERIUM VIOLACEUM CHROMOBACTERIUM VIOLACEUM TRANSFERASE
Ref.: STRUCTURAL STUDIES WITH PSEUDOMONAS AND CHROMOBACTE [OMEGA]-AMINOTRANSFERASES PROVIDE INSIGHTS INTO THE DIFFERING SUBSTRATE SPECIFICITY. ACTA CRYSTALLOGR.,SECT.D V. 69 564 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:1460;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
PXG B:470;
A:470;
Valid;
Valid;
none;
none;
submit data
368.278 C15 H17 N2 O7 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4BA5 1.76 Å EC: 2.6.1.18 CRYSTAL STRUCTURE OF OMEGA-TRANSAMINASE FROM CHROMOBACTERIUM VIOLACEUM CHROMOBACTERIUM VIOLACEUM TRANSFERASE
Ref.: STRUCTURAL STUDIES WITH PSEUDOMONAS AND CHROMOBACTE [OMEGA]-AMINOTRANSFERASES PROVIDE INSIGHTS INTO THE DIFFERING SUBSTRATE SPECIFICITY. ACTA CRYSTALLOGR.,SECT.D V. 69 564 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4BA5 - PXG C15 H17 N2 O7 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 2 families.
1 4BA5 - PXG C15 H17 N2 O7 P Cc1c(c(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4BA5 - PXG C15 H17 N2 O7 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PXG; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 PXG 1 1
2 GAB PLP 0.670732 0.95
3 GBC PLP 0.670732 0.95
4 PSZ 0.641975 0.892308
5 PLG 0.551282 0.873016
6 PLA 0.542169 0.820895
7 P1T 0.530864 0.833333
8 PP3 0.530864 0.887097
9 PDD 0.530864 0.887097
10 PDA 0.530864 0.887097
11 C6P 0.53012 0.873016
12 RW2 0.52809 0.835821
13 IK2 0.52439 0.833333
14 PMH 0.518072 0.753425
15 2BK 0.518072 0.887097
16 PLS 0.518072 0.873016
17 5PA 0.518072 0.861538
18 TLP 0.518072 0.887097
19 2BO 0.518072 0.887097
20 PPD 0.511905 0.873016
21 7TS 0.511628 0.714286
22 CBA 0.511628 0.846154
23 PY5 0.505882 0.820895
24 QLP 0.505747 0.797101
25 PMG 0.505747 0.797101
26 7XF 0.494253 0.846154
27 PGU 0.494253 0.846154
28 PDG 0.494253 0.846154
29 ILP 0.494253 0.859375
30 IN5 0.493827 0.854839
31 PY6 0.483146 0.797101
32 HEY 0.483146 0.820895
33 76U 0.483146 0.833333
34 AQ3 0.479167 0.936508
35 3LM 0.477778 0.797101
36 ORX 0.477778 0.833333
37 N5F 0.477778 0.833333
38 EA5 0.477778 0.808824
39 PL8 0.473118 0.767123
40 PE1 0.472527 0.833333
41 33P 0.470588 0.84127
42 PXP 0.466667 0.8
43 PL4 0.462366 0.833333
44 PMP 0.460526 0.866667
45 DCS 0.455556 0.723684
46 PL2 0.455556 0.742857
47 GT1 0.454545 0.71875
48 KAM 0.452632 0.833333
49 7B9 0.447917 0.8
50 1D0 0.434343 0.921875
51 0LD 0.433962 0.707317
52 TZA PLP 0.43 0.919355
53 9YM 0.425532 0.818182
54 PLR 0.413333 0.704918
55 PLP ALO 0.4 0.84127
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4BA5; Ligand: PXG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4ba5.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4BA5; Ligand: PXG; Similar sites found: 89
This union binding pocket(no: 2) in the query (biounit: 4ba5.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PMO PLR 0.004597 0.40129 1.30719
2 2Z9V PXM 0.0002905 0.43065 1.78571
3 3B8X G4M 0.00007029 0.52327 1.79487
4 5W71 9YM 0.0005292 0.48874 1.81818
5 5W71 PLP 0.0001234 0.4835 1.81818
6 1DJ9 KAM 0.0003754 0.45953 1.82292
7 2TPL HPP 0.001948 0.44307 1.97368
8 4IY7 0JO 0.002263 0.43126 2.01511
9 4IY7 KOU 0.00227 0.4312 2.01511
10 4IYO 0JO 0.002735 0.42754 2.01511
11 1NAA ABL 0.0482 0.40184 2.17865
12 1NAA 6FA 0.03815 0.40119 2.17865
13 4Q4K FMN 0.01071 0.40872 2.2409
14 2FNU PMP UD1 0.0002803 0.49723 2.4
15 3PD6 PMP 0.0004524 0.43978 2.49377
16 3PDB PMP 0.0007261 0.43661 2.49377
17 3WGC PLG 0.00003649 0.50435 2.6393
18 2PO3 T4K 0.003635 0.44134 2.83224
19 1M7Y PPG 0.00785 0.42049 2.83224
20 1B9I PXG 0.0003752 0.47255 2.83505
21 2C1X UDP 0.02334 0.4046 3.05011
22 1FC4 AKB PLP 0.00186 0.43309 3.26797
23 3DR4 G4M 0.00008095 0.52589 3.32481
24 4RKC PMP 0.005786 0.41079 3.51759
25 1CL2 PPG 0.007896 0.40672 3.5443
26 1LW4 TLP 0.00008843 0.49244 3.7464
27 1LW4 PLP 0.00007142 0.49144 3.7464
28 1ELU CSS 0.006749 0.41159 3.84615
29 1ELU PDA 0.006439 0.40885 3.84615
30 1GCK ASP PLP 0.004193 0.41916 3.8961
31 1E5F PLP 0.0007337 0.44664 3.9604
32 2FYF PLP 0.0007431 0.42403 4.0201
33 2WK9 PLG 0.0009201 0.46723 4.11311
34 2WK9 PLP 0.001468 0.45485 4.11311
35 4AZJ SEP PLP 0.006054 0.41374 4.13943
36 3E2Y PMP 0.002825 0.41152 4.14634
37 4K2M O1G 0.0001113 0.4947 4.28894
38 3ZRR PXG 0.00002555 0.51914 4.57516
39 2R5C C6P 0.002239 0.43147 4.662
40 2R5E QLP 0.003114 0.425 4.662
41 4UP3 FAD 0.03235 0.4014 4.77707
42 5U23 TQP 0.0004573 0.48019 4.79303
43 4LNL 2BO 0.00005758 0.49558 4.8048
44 4LNL PLG 0.0000431 0.49364 4.8048
45 4LNL 2BK 0.01514 0.41475 4.8048
46 1AJS PLA 0.003525 0.42791 4.85437
47 5K8B PDG 0.00003424 0.51805 4.96278
48 1DFO PLG 0.0002265 0.47638 5.03597
49 4M2K PLP 0.0005916 0.42536 5.17241
50 5X2Z 3LM 0.0006669 0.46463 5.27638
51 5X30 4LM 0.0005576 0.44378 5.27638
52 5X30 7XF 0.000865 0.42842 5.27638
53 2XBN PMP 0.00455 0.42599 5.38642
54 5W70 9YM 0.0002137 0.47752 5.39326
55 3VP6 HLD 0.0007166 0.46146 6.10022
56 2ZC0 PMP 0.002469 0.42548 6.38821
57 1VJO PLP 0.0001181 0.48177 6.61578
58 1U08 PLP 0.001125 0.42327 6.73575
59 5DJ3 5DK 0.00997 0.4003 6.91489
60 2OGA PGU 0.001944 0.43616 7.01754
61 1MDZ PLP 0.03067 0.41986 7.12468
62 1MDZ DCS 0.04744 0.41098 7.12468
63 3FRK TQP 0.0003717 0.48445 7.5067
64 5GVL PLG 0.001891 0.46071 7.91855
65 5GVL GI8 0.001891 0.46071 7.91855
66 4HVK PMP 0.0004047 0.43267 8.37696
67 1WYV PLP AOA 0.007315 0.40236 10.6754
68 4WXG 2BO 0.0002791 0.42078 12.4183
69 1LC8 33P 0.003413 0.4333 14.011
70 5DDW 5B6 0.000001039 0.5224 17.4292
71 2CJH AKG 0.0000004819 0.58755 22.7171
72 4AOA IK2 0.00000002378 0.64541 25.7081
73 4ZSY RW2 0.00000002541 0.58369 25.7081
74 3BS8 PMP 0.00000007609 0.59959 28.7671
75 3FQ8 PMP 0.00000001713 0.67159 33.0211
76 4ZM4 PLP 0.0000000277 0.65194 37.3602
77 4ZM4 P3B 0.0000009242 0.53491 37.3602
78 4UOX PLP 0.000000002264 0.66165 39.6514
79 4UOX PLP PUT 0.0000001575 0.61248 39.6514
80 4UOX PUT 0.0000003389 0.59432 39.6514
81 5KGS 6SR 0.0000002468 0.65562 42.6696
82 5G09 6DF 0.00000002711 0.65333 43.1373
83 2OAT PFM 0.0000004531 0.57442 43.2802
84 1SFF IK2 0.0000000168 0.66271 43.662
85 5G4J EXT 0.000003657 0.52406 44.1704
86 5WYF ILP 0.0000007717 0.58772 44.8802
87 4ADC PLP 0.0000003948 0.51664 47.0443
88 1MLY ACZ PLP 0.0000001714 0.61409 47.3193
89 1ZC9 PMP 0.0000004354 0.59594 47.3441
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