Structure of PDB 1e1h Chain C Binding Site BS01

Receptor Information

>1e1h Chain C (length=235) Species: 1491 (Clostridium botulinum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MAYKDPVNGVDIAYIKIPNAGQMQPVKAFKIHNKIWVIPERDTFTNPEEG
DLNPPPEAKQVPVSYYDSTYLSTDNEKDNYLKGVTKLFERIYSTDLGRML
LTSIVRGIPFWGGSTIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPS
ADIIQFECKSFGHDVLNLTRNGYGSTQYIRFSPDFTFGFEESLGAGKFAT
DPAVTLAHELIHAEHRLYGIAINPNRVFKVNTNAY

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

1e1h Chain C Residue 502 [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	1e1h Crystal Structure of Clostridium Botulinum Neurotoxin Protease in a Product-Bound State: Evidence for Noncanonical Zinc Protease Activity
Resolution	1.8 Å
Binding residue (original residue number in PDB)	H222 H226
Binding residue (residue number reindexed from 1)	H208 H212
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	S70 R144 H222 E223 H226 A248
Catalytic site (residue number reindexed from 1)	S64 R138 H208 E209 H212 A234
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

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Biological Process

External links

PDB	RCSB:1e1h, PDBe:1e1h, PDBj:1e1h
PDBsum	1e1h
PubMed	15107500
UniProt	Q45894\|BXA2_CLOBJ Botulinum neurotoxin type A2 (Gene Name=botA)

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