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Receptor
PDB id Resolution Class Description Source Keywords
4ZO3 1.67 Å EC: 7.-.-.- AIDC, A DIZINC QUORUM-QUENCHING LACTONASE, IN COMPLEX WITH A N-HEXNOYL-L-HOMOSERINE CHRYSEOBACTERIUM SP. STRB126 QUORUM-QUENCHING N-ACYL-L-HOMOSERINE LACTONASE DIZINC AIHYDROLASE
Ref.: STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF AIDC QUORUM-QUENCHING LACTONASE WITH ATYPICAL SELECTIVIT BIOCHEMISTRY V. 54 4342 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:402;
A:401;
B:401;
B:402;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
C6L A:403;
B:403;
Valid;
Valid;
none;
none;
submit data
217.262 C10 H19 N O4 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZO3 1.67 Å EC: 7.-.-.- AIDC, A DIZINC QUORUM-QUENCHING LACTONASE, IN COMPLEX WITH A N-HEXNOYL-L-HOMOSERINE CHRYSEOBACTERIUM SP. STRB126 QUORUM-QUENCHING N-ACYL-L-HOMOSERINE LACTONASE DIZINC AIHYDROLASE
Ref.: STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF AIDC QUORUM-QUENCHING LACTONASE WITH ATYPICAL SELECTIVIT BIOCHEMISTRY V. 54 4342 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 4ZO3 - C6L C10 H19 N O4 CCCCCC(=O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 4ZO3 - C6L C10 H19 N O4 CCCCCC(=O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 4ZO3 - C6L C10 H19 N O4 CCCCCC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: C6L; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 C6L 1 1
2 1K4 0.813953 0.975
3 CYK 0.704545 0.9
4 C4L 0.682927 0.923077
5 EPM 0.54717 0.755556
6 16E 0.5 0.725
7 SN0 0.458333 0.794872
8 KKA 0.4 0.72093
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZO3; Ligand: C6L; Similar sites found with APoc: 22
This union binding pocket(no: 1) in the query (biounit: 4zo3.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2WL9 MBD 1.36054
2 3KA2 2NC 2.46305
3 1JJE BYS 2.7027
4 5O4F 8VE 2.71318
5 1LGT BP3 3.06122
6 4NNB OAA 3.7415
7 2JBM SRT 4.08163
8 4S1B 2BA 4.5045
9 5YF9 NIO 4.7619
10 5EW0 3C7 6.41026
11 5HIP 61O 8.16327
12 1QH5 GBP 10.3846
13 4A38 BZS 10.8844
14 5JFL NAD 12.2449
15 6EW3 S3C 13.7931
16 4EXS X8Z 13.9706
17 6CGZ HL6 14.1844
18 5ZGI SIN 15.7025
19 4TYT S3C 16.2996
20 6AD9 KK4 16.6667
21 1WRA PC 29.5918
22 2BR6 HSL 40.0794
Pocket No.: 2; Query (leader) PDB : 4ZO3; Ligand: C6L; 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: 4zo3.bio3) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4ZO3; Ligand: C6L; Similar sites found with APoc: 21
This union binding pocket(no: 3) in the query (biounit: 4zo3.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5NM7 GLY 1.50376
2 5T9F TYR 1.70068
3 5T9F NAP 1.70068
4 5OCQ CIT 1.75439
5 6AMI TRP 2.04082
6 5GVL PLG 2.04082
7 5GVL GI8 2.04082
8 4R5Z PMP 2.72109
9 6AM8 PLT 3.06122
10 4I3V NAD 4.71311
11 2P1E LAC 5.10204
12 1UU1 PMP HSA 5.10204
13 4MLM TLA 5.10204
14 3KFC 61X 5.13834
15 5AHO TLA 5.44218
16 3LGG CFE 5.44218
17 3W9F I3P 6.53846
18 5E5U MLI 7.03518
19 2EXX NAP 8.84354
20 1VPV PLM 11.2245
21 2QDT I38 13.6054
Pocket No.: 4; Query (leader) PDB : 4ZO3; Ligand: C6L; 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: 4zo3.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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