Receptor
PDB id Resolution Class Description Source Keywords
6IEY 2.1 Å EC: 3.1.1.1 CRYSTAL STRUCTURE OF CHLORAMPHENICOL-METABOLIZAING ENZYME ES CHLORAMPHENICOL COMPLEX UNCULTURED BACTERIUM CHLORAMPHENICOL METAGENOME HORNOME SENSITIVE LIPASE HSL ESTERASE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF CHLORAMPHENICOL-METABOLIZING E ESTDL136 FROM A METAGENOME. PLOS ONE V. 14 10298 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CLM A:401;
 Valid;
 none;
 submit data
323.129 C11 H12 Cl2 N2 O5 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6IEY 2.1 Å EC: 3.1.1.1 CRYSTAL STRUCTURE OF CHLORAMPHENICOL-METABOLIZAING ENZYME ES CHLORAMPHENICOL COMPLEX UNCULTURED BACTERIUM CHLORAMPHENICOL METAGENOME HORNOME SENSITIVE LIPASE HSL ESTERASE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF CHLORAMPHENICOL-METABOLIZING E ESTDL136 FROM A METAGENOME. PLOS ONE V. 14 10298 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 6IEY - CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 6IEY - CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 6IEY - CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CLM; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CLM 1 1
2 BRX 0.769231 0.962264
3 CL8 0.58209 0.862069
Similar Ligands (3D)
Ligand no: 1; Ligand: CLM; Similar ligands found: 15
No: Ligand Similarity coefficient
1 TH8 0.9585
2 NHK 0.8955
3 HRS 0.8926
4 GLY TYR 0.8823
5 C2R 0.8784
6 L8N 0.8728
7 NGH 0.8722
8 AMZ 0.8718
9 DA 0.8655
10 0QX 0.8631
11 A06 0.8627
12 Z79 0.8620
13 IMP 0.8600
14 UMP 0.8535
15 N1Y 0.8526
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6IEY; Ligand: CLM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6iey.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback