Structure of PDB 6xbf Chain C

Receptor sequence
>6xbfC (length=229) Species: 573 (Klebsiella pneumoniae) [Search protein sequence]
GDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNGLIVRDGGRVLVVDT
AWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYA
NALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTS
DNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTEHYAASARAFGAAFP
KASMIVMSHSAPDSRAAITHTARMADKLR
3D structure
PDB6xbf Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1.
ChainC
Resolution2.2 Å
3D
structure
Catalytic site residues are labeled in the structure
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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.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 peptide C H122 D124 H189 N220 G222 H250 H81 D83 H148 N179 G181 H209
BS02 ZN C E152 D223 E111 D182
BS03 ZN C H120 H122 H189 H79 H81 H148
BS04 ZN C D124 C208 H250 D83 C167 H209
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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