Structure of PDB 6f47 Chain A Binding Site BS01

Receptor Information

>6f47 Chain A (length=413) Species: 1491 (Clostridium botulinum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MKLEINKFNYNDPIDGINVITMRPPRHSDKINKGKGPFKAFQVIKNIWIV
PERYNFTNNTNDLNIPSEPIMEADAIYNPNYLNTPSEKDEFLQGVIKVLE
RIKSKPEGEKLLELISSSIPLPLVSNGALTLSDNETIAYQENNNIVSNLQ
ANLVIYGPGPDIANNATYGLYSTPISNGEGTLSEVSFSPFYLKPFDESYG
NYRSLVNIVNKFVKREFAPDPASTLMHELVHVTHNLYGISNRNFYYNFDT
GKIETSRQQNSLIFEELLTFGGIDSKAISSLIIKKIIETAKNNYTTLISE
RLNTVTVENDLLKYIKNKIPVQGRLGNFKLDTAEFEKKLNTILFVLNESN
LAQRFSILVRKHYLKERPIDPIYVNILDDNSYSTLEGFNISSQGSNDFQG
QLLESSYFEKIES

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

6f47 Chain A Residue 1001 [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	6f47 Structural characterisation of the catalytic domain of botulinum neurotoxin X - high activity and unique substrate specificity.
Resolution	1.35 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:6f47, PDBe:6f47, PDBj:6f47
PDBsum	6f47
PubMed	29540745
UniProt	P0DPK1\|BXX_CLOBO Botulinum neurotoxin type X (Gene Name=CBB2_0680)

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