Structure of PDB 1bud Chain A Binding Site BS02

Receptor Information
>1bud Chain A (length=197) Species: 36307 (Deinagkistrodon acutus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FQRYMEIVIVVDHSMVKKYNGDSDSIKAWVYEMINTITESYSYLKIDISL
SGLEIWSGKDLIDVEASAGNTLKSFGEWRAKDLIHRISHDNAQLLTATDF
DGATIGLAYVASMCNPKRSVGVIQDHSSVNRLVAITLAHEMAHNLGVSHD
EGSCSCGGKSCIMSPSISDETIKYFSDCSYIQCRDYISKENPPCILN
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1bud Chain A Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bud Crystal structures of acutolysin A, a three-disulfide hemorrhagic zinc metalloproteinase from the snake venom of Agkistrodon acutus.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E9 D93 C197 N200
Binding residue
(residue number reindexed from 1)		E6 D90 C194 N197
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.-
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:1bud, PDBe:1bud, PDBj:1bud
PDBsum1bud
PubMed9784374
UniProtQ9PW35|VM1AA_DEIAC Snake venom metalloproteinase acutolysin-A

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