Structure of PDB 6k4x Chain A Binding Site BS02

Receptor Information

>6k4x Chain A (length=260) Species: 615 (Serratia marcescens)

RDWSSPQQPFTIYGNTHYVGTGGISAVLLSSPQGHILVDGTTEKGAQVVA
ANIRAMGFKLSDVKYILSTHSHEDHAGGISAMQKLTGATVLAGAANVDTL
RTGVSPKSDPQFGSLSNFPGSAKVRAVADGELVKLGPLAVKAHATPGHTE
GGITWTWQSCEQGKCKDVVFADSLTAVSADSYRFSDHPEVVASLRGSFEA
VEKLSCDIAIAAHPEVNDMWTRQQRAAKEGNSAYVDNGACRAIAAAGRKR
LETRLASEKR

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: 6k4x Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6k4x 4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses.
• Resolution: 1.17 Å
• Binding residue (original residue number in PDB): D76 H77 H215
• Binding residue (residue number reindexed from 1): D74 H75 H213
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H72 H74 D76 H77 H150 Y184 H215
• Catalytic site (residue number reindexed from 1): H70 H72 D74 H75 H148 Y182 H213
• 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:6k4x, PDBe:6k4x, PDBj:6k4x
• PDBsum: 6k4x
• PubMed: 31405855
• UniProt: G5ELM3