Structure of PDB 7na9 Chain A Binding Site BS01

Receptor Information

>7na9 Chain A (length=434) Species: 1491 (Clostridium botulinum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PVTINNFNYNDPIDNNNIIMMEPPFARGTGRYYKAFKITDRIWIIPERYT
FGYKPEDFNKRDVCEYYDPDYLNTNDKKNIFLQTMIKLFNRIKSKPLGEK
LLEMIINGIPYLGDRRVPLEEFNTNIASVTVNKLISNPGEVERKKGIFAN
LIIFGPGPVLNENETIDIGIQNHFASREGFGGIMQMKFCPEYVSVFNNVQ
ENKGASIFNRRGYFSDPALILMHELIHVLHGLYGIKVDDLPIVPNEKKFF
MQSTDAIQAEELYTFGGQDPSIITPSTDKSIYDKVLQNFRGIVDRLNKVL
VCISDPNININIYKNKFKDKYKFVEDSEGKYSIDVESFDKLYKSLMFGFT
ETNIAENYKIKTRASYFSDSLPPVKIKNLLDNEIYTIEEGFNISDKDMEK
EYRGQNKAINKQAYEEISKEHLAVYKIQMCKSVK

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

7na9 Chain A Residue 503 [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	7na9 Probing the structure and function of the protease domain of botulinum neurotoxins using single-domain antibodies.
Resolution	1.76 Å
Binding residue (original residue number in PDB)	H230 H234 E268
Binding residue (residue number reindexed from 1)	H223 H227 E261
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:7na9, PDBe:7na9, PDBj:7na9
PDBsum	7na9
PubMed	34990480
UniProt	P10844\|BXB_CLOBO Botulinum neurotoxin type B (Gene Name=botB)

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