Structure of PDB 8ow8 Chain A Binding Site BS01

Receptor Information

>8ow8 Chain A (length=401) Species: 1350 (Enterococcus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GMVTINDLHYSDPIDEDNIINMRIPLYDLEVDDQFINHNVPDLKAFQVFP
NVWVVPERYTFYSTMKNLDAPANPSRSSYYDPTYLQSDAEKEVFLQQMIL
LFKRINSTQEGQQFLNLLSRSIPVPYESNGDVAMGTTQVIKQMDDKGNVL
KHRRAHIIIYGPGPDLMAKGSKALTKSRETGRGCMAEIYFSPMYHKTYST
KLTNKNSLVDKSVQEFVPDPAVTLIHELCHGLHALYGIDLGNVGSWEFNK
EAVNFEEVMTFGGEDVKVIKSEIDKKIPGILNLIKTTVEPIINKITDPHD
EMLQCLQSKYPSLKGTLGQFFFDDTQLEKDIRDLWMVMNETMFAENLKAL
TRARYLVPKVENIVQVDILSPNVYTIDKGFNHLSKGFKGQSVSQSYFRKI
S

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

8ow8 Chain A Residue 501 [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	8ow8 Crystal Structure of the Catalytic Domain of a Botulinum Neurotoxin Homologue from Enterococcus faecium : Potential Insights into Substrate Recognition.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	H225 H229 E269
Binding residue (residue number reindexed from 1)	H226 H230 E257
Annotation score	4

Enzymatic activity

Enzyme Commision number

3.4.24.69: bontoxilysin.

Gene Ontology

	Molecular Function
GO:0004222	metalloendopeptidase activity
GO:0008270	zinc ion binding

	Biological Process
GO:0006508	proteolysis

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Molecular Function

View graph for
Biological Process

External links

PDB	RCSB:8ow8, PDBe:8ow8, PDBj:8ow8
PDBsum	8ow8
PubMed	37628902
UniProt	A0A242DI27\|BXJ_ENTS3 Botulinum-like toxin eBoNT/J (Gene Name=A5816_002916)

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