-->
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 253 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 209 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 173 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 HF2 0.512195 0.727273
3 HFA 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 with APoc: 73
This union binding pocket(no: 1) in the query (biounit: 4a38.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4I6H 1C8 1.2987
2 4DQ2 BTX 1.52439
3 5NN0 92H 1.54639
4 6BFG FMN 1.80412
5 5G61 FNY 2.06186
6 6C4A PYR 2.31959
7 4OCJ NDG 2.37467
8 4N2R FUB 2.39521
9 3NFZ 3NF 2.44648
10 3WCA FPS 2.46575
11 2YFT DQR 2.57732
12 6FCX FAD 2.57732
13 2A8Y MTA 2.59259
14 3ZL8 ADP 2.83505
15 4MWV BCZ 2.83505
16 4HZX G39 2.83505
17 3VPD ANP 2.84698
18 5LYR MAN MNM 2.85714
19 4L9Z COA 2.94985
20 5N9T 8QQ 3.08123
21 3GFZ FMN 3.09278
22 4QN7 G39 3.09278
23 2RDT FMN 3.10078
24 1MO9 FAD 3.35052
25 1MO9 KPC 3.35052
26 5OKG BG6 3.35052
27 1TB3 FMN 3.40909
28 3RFV NAI 3.74532
29 2Z6D FMN 3.84615
30 3W8X FTK 3.86598
31 3ZM6 2GN 3.86598
32 4QN6 LNV 3.86598
33 1T0A FPP 4.40252
34 5WRE 7TL 4.51613
35 4IID NOJ 4.63918
36 1H5T DAU 4.77816
37 3VBK 0FX 4.87805
38 4UXH T5A 4.8913
39 2Z6C FMN 5.42636
40 5D2R 56W 5.6701
41 1EYR CDP 5.70175
42 4YUS FMN 5.75916
43 2V5E SCR 5.94059
44 4R38 RBF 6.42857
45 2RAB FAD 6.4433
46 5AK8 ALA ARG 7.47423
47 4QIJ 1HA 7.48503
48 5CSD ACD 7.54717
49 5DEY 59T 7.74411
50 5G3N X28 8.66142
51 2BGS NDP 9.30233
52 5JNN 6LM 9.47368
53 2DYR TGL 10.2041
54 1MDC PLM 10.6061
55 4JTA NAP 10.8108
56 4ZO3 C6L 10.8844
57 4PIO SAH 12.0743
58 4PIO AVI 12.0743
59 2V77 PAY 12.2977
60 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 13
61 4P10 2B8 13.4021
62 1PCA VAL 13.4021
63 4UIB GWX 15.9609
64 5A5W GUO 16.996
65 3HPF GAE 17.0103
66 2ZFZ ARG 18.9873
67 3D72 FAD 19.4631
68 3LMS GLY 20.2703
69 1DTD GLU 21.1221
70 4CPA GLY 21.8241
71 7CPA FVF 21.8241
72 2PCU ASP 21.9672
73 2PCU PHE ASN ARG PRO VAL 21.9672
APoc FAQ
Feedback