Structure of PDB 7dvl Chain B Binding Site BS01

Receptor Information
>7dvl Chain B (length=407) Species: 1491 (Clostridium botulinum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMPFVNKQFNYRDPVNGVDIAYIKIPNAGQMQPVKAFKIHEGVWVIPERD
TFTNPEEGDLNPPPEAKQVPVSYYDSTYLSTDNEKDNYLKGVIKLFDRIY
STGLGRMLLSFIVKGIPFWGGSTIDTELKVIDTNCINVIEPGGSYRSEEL
NLVITGPSADIIQFECKSFGHDVFNLTRNGYGSTQYIRFSPDFTFGFEES
LGTFATDPAVTLAHQLIHAAHRLYGIAINPNRVLKVKTNAYYEMSGLEVS
FEELRTFGGNDTNFIDSLWQKKFSRDAYDNLQNIARILNEAKTIVGTTTP
LQYMKNIFIRKYFLSEDASGKISVNKAAFKEFYRVLTRGFTELEFVNPFK
VINRKTFLNFDKAVFRINIVPDENYTINEGFNLEGANSNGQNTEINSRNF
TRLKNFT
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7dvl Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7dvl Crystal structure of the catalytic domain of botulinum neurotoxin subtype A3.
Resolution2.006 Å
Binding residue
(original residue number in PDB)		H225 H229 E264
Binding residue
(residue number reindexed from 1)		H214 H218 E253
Annotation score4
Enzymatic activity
Enzyme Commision number ?
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:7dvl, PDBe:7dvl, PDBj:7dvl
PDBsum7dvl
PubMed33891946
UniProtD3IV24

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