Receptor
PDB id Resolution Class Description Source Keywords
4A38 2 Å EC: 3.-.-.- METALLO-CARBOXYPEPTIDASE FROM PSEUDOMONAS AUREGINOSA IN COMP L-BENZYLSUCCINIC ACID PSEUDOMONAS AERUGINOSA METALLO-PEPTIDASE HYDROLASE
Ref.: THE NOVEL STRUCTURE OF A CYTOSOLIC M14 METALLOCARBOXYPEPTIDASE (CCP) FROM PSEUDOMONAS AERU A MODEL FOR MAMMALIAN CCPS. FASEB J. V. 26 3754 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BZS A:1376;
Valid;
none;
submit data
208.211 C11 H12 O4 c1ccc...
ZN A:576;
B:753;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4A38 2 Å EC: 3.-.-.- METALLO-CARBOXYPEPTIDASE FROM PSEUDOMONAS AUREGINOSA IN COMP L-BENZYLSUCCINIC ACID PSEUDOMONAS AERUGINOSA METALLO-PEPTIDASE HYDROLASE
Ref.: THE NOVEL STRUCTURE OF A CYTOSOLIC M14 METALLOCARBOXYPEPTIDASE (CCP) FROM PSEUDOMONAS AERU A MODEL FOR MAMMALIAN CCPS. FASEB J. V. 26 3754 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 4A38 - BZS C11 H12 O4 c1ccc(cc1)....
2 4A39 - GEM C7 H13 N3 O4 S C(CS[C@@H]....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 4A38 - BZS C11 H12 O4 c1ccc(cc1)....
2 4A39 - GEM C7 H13 N3 O4 S C(CS[C@@H]....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 4A38 - BZS C11 H12 O4 c1ccc(cc1)....
2 4A39 - GEM C7 H13 N3 O4 S C(CS[C@@H]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BZS; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 BZS 1 1
2 HFA 0.512195 0.727273
3 HF2 0.512195 0.727273
4 PAC 0.425 0.684211
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4A38; Ligand: BZS; Similar sites found: 46
This union binding pocket(no: 1) in the query (biounit: 4a38.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DQ2 BTX 0.0251 0.41557 1.52439
2 4OCJ NDG 0.04963 0.40369 2.37467
3 4N2R FUB 0.01238 0.4008 2.39521
4 3NFZ 3NF 0.00001419 0.46958 2.44648
5 3WCA FPS 0.04583 0.40254 2.46575
6 2YFT DQR 0.01871 0.40384 2.57732
7 2A8Y MTA 0.02007 0.41015 2.59259
8 3ZL8 ADP 0.01111 0.42099 2.83505
9 4MWV BCZ 0.01591 0.40854 2.83505
10 4HZX G39 0.02044 0.40476 2.83505
11 4L9Z COA 0.04193 0.40176 2.94985
12 3GFZ FMN 0.01077 0.41456 3.09278
13 4QN7 G39 0.01813 0.40621 3.09278
14 2RDT FMN 0.04103 0.40073 3.10078
15 1MO9 FAD 0.03343 0.44092 3.35052
16 1TB3 FMN 0.02898 0.40487 3.40909
17 2Z6D FMN 0.01302 0.41519 3.84615
18 3ZM6 2GN 0.0276 0.40988 3.86598
19 4QN6 LNV 0.02277 0.40017 3.86598
20 1T0A FPP 0.01614 0.40849 4.40252
21 4IID NOJ 0.02029 0.40534 4.63918
22 2Z6C FMN 0.01311 0.41445 5.42636
23 5D2R 56W 0.000000468 0.47774 5.6701
24 1EYR CDP 0.01776 0.40606 5.70175
25 2V5E SCR 0.00513 0.40995 5.94059
26 4R38 RBF 0.02619 0.40031 6.42857
27 2RAB FAD 0.04173 0.41524 6.4433
28 4QIJ 1HA 0.01916 0.45548 7.48503
29 5G3N X28 0.02287 0.40406 8.66142
30 2BGS NDP 0.008884 0.44375 9.30233
31 5JNN 6LM 0.01532 0.4206 9.47368
32 1MDC PLM 0.03408 0.4015 10.6061
33 4PIO SAH 0.02521 0.41823 12.0743
34 4PIO AVI 0.02415 0.41823 12.0743
35 2V77 PAY 0.000001781 0.60901 12.2977
36 4P10 2B8 0.0000001458 0.66854 13.4021
37 1PCA VAL 0.0001017 0.48404 13.4021
38 4UIB GWX 0.0000001805 0.42634 15.9609
39 5A5W GUO 0.04186 0.40949 16.996
40 3LMS GLY 0.0001062 0.43133 20.2703
41 1DTD GLU 0.00008872 0.50674 21.1221
42 4CPA GLY 0.00000505 0.50056 21.8241
43 7CPA FVF 0.0000001629 0.46067 21.8241
44 2PCU ASP 0.00002383 0.54268 21.9672
45 2PCU PHE ASN ARG PRO VAL 0.0001878 0.5018 21.9672
46 1C1L GAL BGC 0.007031 0.40976 23.3577
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