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 250 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 217 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 181 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: 13
This union binding pocket(no: 1) in the query (biounit: 4zo3.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JJE BYS 0.008608 0.41686 2.7027
2 5O4F 8VE 0.005794 0.41696 2.71318
3 4NNB OAA 0.02836 0.40639 3.7415
4 2JBM SRT 0.03129 0.40143 4.08163
5 2P1E LAC 0.0001532 0.52582 5.10204
6 5EW0 3C7 0.003579 0.43226 6.41026
7 5HIP 61O 0.0009229 0.46593 8.16327
8 1QH5 GBP 0.002368 0.44596 10.3846
9 4EXS X8Z 0.0056 0.41998 13.9706
10 4RL0 3S0 0.00274 0.42053 15.7025
11 4TYT S3C 0.000747 0.43924 16.2996
12 1WRA PC 0.002711 0.43938 29.5918
13 2BR6 HSL 0.0002168 0.42641 40.0794
Pocket No.: 2; Query (leader) PDB : 4ZO3; Ligand: C6L; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4ZO3; Ligand: C6L; Similar sites found: 6
This union binding pocket(no: 3) in the query (biounit: 4zo3.bio3) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5T9F TYR 0.02544 0.4104 1.70068
2 1UU1 PMP HSA 0.01047 0.41204 5.10204
3 3KFC 61X 0.03092 0.40094 5.13834
4 5E5U MLI 0.005526 0.46802 7.03518
5 1VPV PLM 0.01306 0.41337 11.2245
6 5JFL NAD 0.01279 0.41649 12.2449
Pocket No.: 4; Query (leader) PDB : 4ZO3; Ligand: C6L; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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