Structure of PDB 5ew0 Chain A Binding Site BS01

Receptor Information

>5ew0 Chain A (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: 5ew0 Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ew0 Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
• Resolution: 1.3 Å
• Binding residue (original residue number in PDB): D111 C205 H247
• Binding residue (residue number reindexed from 1): D71 C165 H207
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N107 H109 D111 H186 C205 K208 N213 H247
• 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:5ew0, PDBe:5ew0, PDBj:5ew0
• PDBsum: 5ew0
• PubMed: 27303030
• UniProt: Q9RMI1