Structure of PDB 6k4t Chain A Binding Site BS02

Receptor Information

>6k4t Chain A (length=260) Species: 615 (Serratia marcescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RDWSSPQQPFTIYGNTHYVGTGGISAVLLSSPQGHILVDGTTEKGAQVVA
ANIRAMGFKLSDVKYILSTHSHEDHAGGISAMQKLTGATVLAGAANVDTL
RTGVSPKSDPQFGSLSNFPGSAKVRAVADGELVKLGPLAVKAHATPGHTE
GGITWTWQSCEQGKCKDVVFADSLTAVSADSYRFSDHPEVVASLRGSFEA
VEKLSCDIAIAAHPEVNDMWTRQQRAAKEGNSAYVDNGACRAIAAAGRKR
LETRLASEKR

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

6k4t Chain A Residue 302 [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	6k4t 4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses.
Resolution	1.39 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

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Molecular Function

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Biological Process

External links

PDB	RCSB:6k4t, PDBe:6k4t, PDBj:6k4t
PDBsum	6k4t
PubMed	31405855
UniProt	G5ELM3

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