Structure of PDB 3q6v Chain B Binding Site BS02

Receptor Information

>3q6v Chain B (length=228) Species: 47917 (Serratia fonticola)

NLTLTHFKGPLYIVEDKEYVQENSMVYIGTDGITIIGATWTPETAETLYK
EIRKVSPLPINEVINTNYHTDRAGGNAYWKTLGAKIVATQMTYDLQKSQW
GSIVNFTRQGNNKYPNLEKSLPDTVFPGDFNLQNGSIRAMYLGEAHTKDG
IFVYFPAERVLYGNCILKENLGNMSFANRTEYPKTLEKLKGLIEQGELKV
DSIIAGHDTPIHDVGLIDHYLTLLEKAP

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 3q6v Chain B Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3q6v Crystal structure of Serratia fonticola Sfh-I: activation of the nucleophile in mono-zinc metallo-beta-lactamases.
• Resolution: 1.37 Å
• Binding residue (original residue number in PDB): D120 C221 H263
• Binding residue (residue number reindexed from 1): D71 C165 H207
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N116 H118 D120 H196 C221 K224 N233 H263
• Catalytic site (residue number reindexed from 1): N67 H69 D71 H146 C165 K168 N173 H207
• Enzyme Commision number: 3.5.2.6: beta-lactamase.

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0008800 beta-lactamase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0017001 antibiotic catabolic process
• GO:0046677 response to antibiotic

Cellular Component

• GO:0042597 periplasmic space

External links

• PDB: RCSB:3q6v, PDBe:3q6v, PDBj:3q6v
• PDBsum: 3q6v
• PubMed: 21762699
• UniProt: Q9RMI1