Structure of PDB 5iqk Chain A Binding Site BS01

Receptor Information

>5iqk Chain A (length=269) Species: 77133 (uncultured bacterium)

PGCEVCATWNADQAPFRLFGNTYYVGMKGLSSVLVTSPQGHVLIDGGLPE
SAPKIIANIGALGFRIEDVKLILNSHGHIDHAGGLAELQRRSNALVAASP
SAALDLASGEVGPDDPQYHALPKYPPVKDMRLARDGGQFNVGPVYLTAHA
TPGHTPGGLSWTWQSCDGPRCLNMVYADSINAVSRPGFKFSASSEYPNAL
ADLRHSFETLEKLPCDVLISAHPEASQLWQRLEASATGGSDAFVDPQACR
AYVAAARTLLDSRLDQEKQ

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: 5iqk Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5iqk Structural and Biochemical Characterization of Rm3, a Subclass B3 Metallo-beta-Lactamase Identified from a Functional Metagenomic Study.
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): H108 H110 H186
• Binding residue (residue number reindexed from 1): H76 H78 H154
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H108 H110 D112 H113 H186 F220 H254
• Catalytic site (residue number reindexed from 1): H76 H78 D80 H81 H154 F188 H222
• Enzyme Commision number: 3.5.2.6: beta-lactamase.

Gene Ontology

Molecular Function

• GO:0008800 beta-lactamase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0030655 beta-lactam antibiotic catabolic process

External links

• PDB: RCSB:5iqk, PDBe:5iqk, PDBj:5iqk
• PDBsum: 5iqk
• PubMed: 27431213
• UniProt: A0A059Q5E8