Receptor
PDB id Resolution Class Description Source Keywords
3ZRR 1.99 Å EC: 2.6.1.51 CRYSTAL STRUCTURE AND SUBSTRATE SPECIFICITY OF A THERMOPHILI ARCHAEAL SERINE : PYRUVATE AMINOTRANSFERASE FROM SULFOLOBUSS OLFATARICUS SULFOLOBUS SOLFATARICUS TRANSFERASE
Ref.: CRYSTAL STRUCTURE AND SUBSTRATE SPECIFICITY OF THE THERMOPHILIC SERINE:PYRUVATE AMINOTRANSFERASE FROM SULFOLOBUS SOLFATARICUS ACTA CRYSTALLOGR.,SECT.D V. 68 763 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1384;
A:1385;
A:1386;
B:1384;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
PXG A:470;
B: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
3ZRR 1.99 Å EC: 2.6.1.51 CRYSTAL STRUCTURE AND SUBSTRATE SPECIFICITY OF A THERMOPHILI ARCHAEAL SERINE : PYRUVATE AMINOTRANSFERASE FROM SULFOLOBUSS OLFATARICUS SULFOLOBUS SOLFATARICUS TRANSFERASE
Ref.: CRYSTAL STRUCTURE AND SUBSTRATE SPECIFICITY OF THE THERMOPHILIC SERINE:PYRUVATE AMINOTRANSFERASE FROM SULFOLOBUS SOLFATARICUS ACTA CRYSTALLOGR.,SECT.D V. 68 763 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3ZRR - 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 1 families.
1 3ZRR - 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 1 families.
1 3ZRR - PXG C15 H17 N2 O7 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PXG; Similar ligands found: 56
No: Ligand ECFP6 Tc MDL keys Tc
1 PXG 1 1
2 GBC PLP 0.670732 0.95
3 GAB PLP 0.670732 0.95
4 PSZ 0.641975 0.892308
5 PLG 0.551282 0.873016
6 PLA 0.542169 0.820895
7 PDA 0.530864 0.887097
8 PP3 0.530864 0.887097
9 PDD 0.530864 0.887097
10 P1T 0.530864 0.833333
11 C6P 0.53012 0.873016
12 RW2 0.52809 0.835821
13 IK2 0.52439 0.833333
14 5PA 0.518072 0.861538
15 PMH 0.518072 0.753425
16 PLS 0.518072 0.873016
17 2BO 0.518072 0.887097
18 2BK 0.518072 0.887097
19 TLP 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 PDG 0.494253 0.846154
27 ILP 0.494253 0.859375
28 7XF 0.494253 0.846154
29 PGU 0.494253 0.846154
30 IN5 0.493827 0.854839
31 LPI 0.488636 0.785714
32 PY6 0.483146 0.797101
33 HEY 0.483146 0.820895
34 76U 0.483146 0.833333
35 AQ3 0.479167 0.936508
36 N5F 0.477778 0.833333
37 EA5 0.477778 0.808824
38 ORX 0.477778 0.833333
39 3LM 0.477778 0.797101
40 PL8 0.473118 0.767123
41 PE1 0.472527 0.833333
42 33P 0.470588 0.84127
43 PXP 0.466667 0.8
44 PL4 0.462366 0.833333
45 PMP 0.460526 0.866667
46 DCS 0.455556 0.723684
47 PL2 0.455556 0.742857
48 GT1 0.454545 0.71875
49 KAM 0.452632 0.833333
50 7B9 0.447917 0.8
51 1D0 0.434343 0.921875
52 0LD 0.433962 0.707317
53 ACZ PLP 0.43 0.890625
54 TZA PLP 0.43 0.890625
55 9YM 0.425532 0.818182
56 PLR 0.413333 0.704918
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ZRR; Ligand: PXG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3zrr.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3ZRR; Ligand: PXG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3zrr.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3ZRR; Ligand: PXG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3zrr.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3ZRR; Ligand: PXG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3zrr.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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