Receptor
PDB id Resolution Class Description Source Keywords
4ZM4 2.4 Å EC: 2.-.-.- COMPLEX STRUCTURE OF PCTV K276R MUTANT WITH PMP AND 3-DEHYDR STREPTOMYCES PACTUM PYRIDOXAL 5-PHOSPHATE AMINOTRANSFERASE TRANSFERASE
Ref.: MECHANISM-BASED TRAPPING OF THE QUINONOID INTERMEDI USING THE K276R MUTANT OF PLP-DEPENDENT 3-AMINOBENZ SYNTHASE PCTV IN THE BIOSYNTHESIS OF PACTAMYCIN. CHEMBIOCHEM V. 16 2484 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
P3B B:501;
E:501;
Valid;
Valid;
none;
none;
submit data
402.293 C15 H19 N2 O9 P CC1=C...
PLP C:501;
F:501;
A: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
4ZM4 2.4 Å EC: 2.-.-.- COMPLEX STRUCTURE OF PCTV K276R MUTANT WITH PMP AND 3-DEHYDR STREPTOMYCES PACTUM PYRIDOXAL 5-PHOSPHATE AMINOTRANSFERASE TRANSFERASE
Ref.: MECHANISM-BASED TRAPPING OF THE QUINONOID INTERMEDI USING THE K276R MUTANT OF PLP-DEPENDENT 3-AMINOBENZ SYNTHASE PCTV IN THE BIOSYNTHESIS OF PACTAMYCIN. CHEMBIOCHEM V. 16 2484 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 4ZM3 - PLP C8 H10 N O6 P Cc1c(c(c(c....
2 4ZM4 - PLP C8 H10 N O6 P Cc1c(c(c(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 4ZM3 - PLP C8 H10 N O6 P Cc1c(c(c(c....
2 4ZM4 - PLP C8 H10 N O6 P Cc1c(c(c(c....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 4ZM3 - PLP C8 H10 N O6 P Cc1c(c(c(c....
2 4ZM4 - PLP C8 H10 N O6 P Cc1c(c(c(c....
3 3FQA - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: P3B; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 P3B 1 1
2 PLI 0.530864 0.877193
3 PM9 0.472527 0.769231
4 P71 0.457447 0.87931
5 2B9 0.457447 0.765625
6 EMS 0.443299 0.806452
7 EJ1 0.438776 0.784615
8 P61 0.425743 0.8125
Ligand no: 2; Ligand: PLP; Similar ligands found: 62
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 F0G 0.564516 0.865385
12 MPM 0.564516 0.814815
13 FEV 0.555556 0.803571
14 KOU 0.555556 0.836364
15 HCP 0.546875 0.77193
16 EVM 0.546875 0.821429
17 6DF 0.545455 0.811321
18 PXL 0.541667 0.659574
19 Z98 0.537313 0.75
20 PXP 0.537037 0.862745
21 PMP 0.527273 0.767857
22 P0P 0.527273 0.916667
23 PL6 0.522388 0.818182
24 GT1 0.517857 0.830189
25 PFM 0.514706 0.803571
26 FEJ 0.514706 0.851852
27 LLP 0.5 0.737705
28 P70 0.5 0.833333
29 PUS 0.479452 0.707692
30 PL5 0.479452 0.775862
31 MPL 0.473684 0.836364
32 PLG 0.46875 0.75
33 IN5 0.46875 0.758621
34 P89 0.466667 0.714286
35 PLP PUT 0.463768 0.672131
36 EQJ 0.460526 0.725806
37 5DK 0.460526 0.725806
38 O1G 0.454545 0.75
39 PLT 0.439024 0.762712
40 X04 0.431034 0.851852
41 PDD 0.426471 0.762712
42 PP3 0.426471 0.762712
43 PDA 0.426471 0.762712
44 P1T 0.426471 0.714286
45 33P 0.42029 0.745763
46 IK2 0.42029 0.714286
47 TLP 0.414286 0.793103
48 2BK 0.414286 0.793103
49 PLS 0.414286 0.779661
50 2BO 0.414286 0.793103
51 5PA 0.414286 0.714286
52 PMH 0.414286 0.619718
53 9TD 0.413793 0.671642
54 PLP 999 0.410959 0.796296
55 PPD 0.408451 0.75
56 C6P 0.408451 0.75
57 QLP 0.405405 0.681818
58 MP5 0.403509 0.666667
59 PLA 0.402778 0.703125
60 PY5 0.402778 0.703125
61 HEY 0.4 0.703125
62 PLP PHE 0.4 0.732143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZM4; Ligand: PLP; Similar sites found with APoc: 8
This union binding pocket(no: 1) in the query (biounit: 4zm4.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5DDW 5B6 21.7002
2 5KGS 6SR 27.1335
3 4B98 PXG 29.7539
4 1MLY ACZ PLP 31.4685
5 5WYF ILP 33.557
6 4UOX PLP 35.123
7 5G09 6DF 35.123
8 1SFF IK2 39.2019
Pocket No.: 2; Query (leader) PDB : 4ZM4; Ligand: PLP; 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: 4zm4.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4ZM4; Ligand: P3B; Similar sites found with APoc: 4
This union binding pocket(no: 3) in the query (biounit: 4zm4.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3A8U PLP 27.9642
2 4UHO PLP 29.9776
3 4UOX PLP 35.123
4 4UOX PUT 35.123
Pocket No.: 4; Query (leader) PDB : 4ZM4; Ligand: PLP; 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: 4zm4.bio3) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4ZM4; Ligand: P3B; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4zm4.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4ZM4; Ligand: PLP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4zm4.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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