Structure of PDB 8r5t Chain B Binding Site BS01

Receptor Information

>8r5t Chain B (length=223) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ETGDQRFGDLVFRQLAPNVWQHTSYLDVASNGLIVRDGGRVLVVDTAWTD
DQTAQILNWIKQEINLPVALAVVTHAHQDKMGGMDALHAAGIATYANALS
NQLAPQEGMVAAQHSLTFAANGWVEPATAPNFGPLKVFYPGPGHTSDNIT
VGIDGTDIAFGGCLIKDSKAKSLLGDADTEHYAASARAFGAAFPKASMIV
MSHSAPDSRAAITHTARMADKLR

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

8r5t Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8r5t Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
Resolution	1.58 Å
Binding residue (original residue number in PDB)	H120 H122 H189
Binding residue (residue number reindexed from 1)	H75 H77 H144
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.5.2.6: beta-lactamase.

Gene Ontology

	Molecular Function
GO:0008270	zinc ion binding
GO:0008800	beta-lactamase activity
GO:0016787	hydrolase activity
GO:0046872	metal ion binding

	Biological Process
GO:0017001	antibiotic catabolic process
GO:0046677	response to antibiotic

	Cellular Component
GO:0042597	periplasmic space

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Cellular Component

External links

PDB	RCSB:8r5t, PDBe:8r5t, PDBj:8r5t
PDBsum	8r5t
PubMed	38373290
UniProt	C7C422\|BLAN1_KLEPN Metallo-beta-lactamase type 2 (Gene Name=blaNDM-1)

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