Structure of PDB 7khq Chain A Binding Site BS02

Receptor Information

>7khq Chain A (length=242) Species: 573 (Klebsiella pneumoniae)

MWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTFA
IPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVY
QEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFL
RKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIGWWV
GWVELDDNVWFFAMNMDMPTSDGLGLRQAITKEVLKQEKIIP

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: 7khq Chain A Residue 304

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7khq Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): E37 H38 E256
• Binding residue (residue number reindexed from 1): E14 H15 E233
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S70 A73 S118 Y123 W157 Y211
• Catalytic site (residue number reindexed from 1): S47 A50 S95 Y100 W134 Y188
• Enzyme Commision number: 3.5.2.6: beta-lactamase.

Gene Ontology

Molecular Function

• GO:0008658 penicillin binding
• GO:0008800 beta-lactamase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0046677 response to antibiotic
• GO:0071555 cell wall organization

External links

• PDB: RCSB:7khq, PDBe:7khq, PDBj:7khq
• PDBsum: 7khq
• PubMed: 33492952
• UniProt: Q6XEC0