Found one PDB record: 6V7H
Receptor
PDB id Resolution Class Description Source Keywords
6V7H 1 Å EC: 3.5.2.6 STRUCTURE OF CTX-M-14 BOUND TO VABORBACTAM AT 1.0 A ESCHERICHIA COLI ESBL BORONATE BETA-LACTAMASE INHIBITOR HYDROLASE
Ref.: STRUCTURAL BASIS AND BINDING KINETICS OF VABORBACTA CLASS A BETA-LACTAMASE INHIBITION. ANTIMICROB.AGENTS CHEMOTHER. V. 64 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
WXM B:302;
A:302;
 Valid;
Valid;
 none;
none;
 submit data
314.142 C12 H17 B N O6 S [B-]1...
PO4 B:304;
A:303;
B:303;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
94.971 O4 P [O-]P...
4D6 A:301;
B:301;
 Invalid;
Invalid;
 none;
none;
 submit data
297.135 C12 H16 B N O5 S B1([C...
K A:304;
B:305;
 Part of Protein;
Invalid;
 none;
none;
 submit data
39.098 K [K+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6V7H 1 Å EC: 3.5.2.6 STRUCTURE OF CTX-M-14 BOUND TO VABORBACTAM AT 1.0 A ESCHERICHIA COLI ESBL BORONATE BETA-LACTAMASE INHIBITOR HYDROLASE
Ref.: STRUCTURAL BASIS AND BINDING KINETICS OF VABORBACTA CLASS A BETA-LACTAMASE INHIBITION. ANTIMICROB.AGENTS CHEMOTHER. V. 64 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 48 families.
1 6V7H - WXM C12 H17 B N O6 S [B-]1([C@H....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 6V7H - WXM C12 H17 B N O6 S [B-]1([C@H....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 6V7H - WXM C12 H17 B N O6 S [B-]1([C@H....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: WXM; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 WXM 1 1
2 4D6 0.513158 0.885246
Similar Ligands (3D)
Ligand no: 1; Ligand: WXM; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6V7H; Ligand: WXM; 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: 6v7h.bio1) has 3 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6V7H; Ligand: WXM; 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: 6v7h.bio2) has 3 residues
No: Leader PDB Ligand Sequence Similarity
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