Structure of PDB 6xbf Chain A Binding Site BS01

Receptor Information
>6xbf Chain A (length=229) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVDT
AWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYA
NALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTS
DNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAFP
KASMIVMSHSAPDSRAAITHTARMADKLR
Ligand information
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6xbf Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		W93 H122 D124 H189 H250
Binding residue
(residue number reindexed from 1)		W52 H81 D83 H148 H209
Enzymatic activity
Catalytic site (original residue number in PDB) H120 H122 D124 H189 C208 K211 N220 H250
Catalytic site (residue number reindexed from 1) H79 H81 D83 H148 C167 K170 N179 H209
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0008800 beta-lactamase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0017001 antibiotic catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6xbf, PDBe:6xbf, PDBj:6xbf
PDBsum6xbf
PubMed33723038
UniProtE9NWK5

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