Structure of PDB 7kz7 Chain A Binding Site BS01

Receptor Information

>7kz7 Chain A (length=424) Species: 1491 (Clostridium botulinum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MKLEINKFNYNDPIDGINVITMRPPRHSDKINKGKGPFKAFQVIKNIWIV
PERYNFTNNTNDLNIPSEPIMEADAIYNPNYLNTPSEKDEFLQGVIKVLE
RIKSKPEGEKLLELISSSIPLPLVSNGALTLSDNETIAYQENDNIVSTLQ
ANLVIYGPGPDIANNEIYGLYSTPISNGEGTLSEVSFSPFYLKPFDESYG
NYRSLVNIVNKFVKREFAPDPASTLMHELVHVTHNLYGISNRNFYYNFDT
GKIETSRQQNSLIFEELLTFGGIDSKAISSLIIKKIIETAKNNYTTLISE
RLNTVTVENDLLKNIKNKIPVQGRLGNFKLDTAEFEKKLNTILFVLNESN
LAQRFSILVRKHYIKERPIDPIYVNILDDNSYSTLEGFNISSQGSNDFQG
QLLESSYFEKIESNALRAFIKICP

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

7kz7 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	7kz7 Phage-assisted evolution of botulinum neurotoxin proteases with reprogrammed specificity.
Resolution	1.8 Å
Binding residue (original residue number in PDB)	H227 H231 E266
Binding residue (residue number reindexed from 1)	H227 H231 E266
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

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Biological Process

External links

PDB	RCSB:7kz7, PDBe:7kz7, PDBj:7kz7
PDBsum	7kz7
PubMed	33602850
UniProt	P0DPK1\|BXX_CLOBO Botulinum neurotoxin type X (Gene Name=CBB2_0680)

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