Structure of PDB 1qua Chain A Binding Site BS01

Receptor Information
>1qua 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]
PAPQTSIELFLIVDHSMYAKYNSNSSKITTTLKARVNIMNAIYSSLNLVI
TLSGIEMWSAADLITVQSSSRNTLKLFASWRETDLLKRTSNDNAQLLTAT
NFNGNTVGLAYLKTMCNSKYSVGLIQDHSAIPLLMAVTMAHELGHNLGMN
HDGAGCSCATCIMAPVLSSGPAKSFSDCSKHDYQSFLTIHKPQCLLN
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 chain1qua Chain A Residue 999 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qua Structure of acutolysin-C, a haemorrhagic toxin from the venom of Agkistrodon acutus, providing further evidence for the mechanism of the pH-dependent proteolytic reaction of zinc metalloproteinases.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H142 H146 H152
Binding residue
(residue number reindexed from 1)		H141 H145 H151
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.-
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0005509 calcium ion binding
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
GO:0090729 toxin activity
Biological Process
GO:0006508 proteolysis
GO:0035821 modulation of process of another organism
Cellular Component
GO:0005576 extracellular region
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1qua, PDBe:1qua, PDBj:1qua
PDBsum1qua
PubMed10531480
UniProtP60244|VM1A3_DEIAC Snake venom metalloproteinase acutolysin-C

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