Structure of PDB 3hvd Chain A Binding Site BS01

Receptor Information
>3hvd Chain A (length=518) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPDRDNDGIPDSLEVEGYTVDVKNKRTFLSPWISNIHEKKGLTKYKSSPE
KWSTASDPYSDFEKVTGRIDKNVSPEARHPLVAAYPIVHVDMENIILSKN
RTISKNTSTSRTHTSSNSSTVAIDHSLRTWAETMGLNTADTARLNANIRY
VNTGTAPIYNVLPTTSLVLGKNQTLATIKAKENQLSQILAPNNYYPSKNL
APIALNAQDDFSSTPITMNYNQFLELEKTKQLRLDTDQVYGNIATYNFEN
GRVRVDTGSNWSEVLPQIQETTARIIFNGKDLNLVERRIAAVNPSDPLET
TKPDMTLKEALKIAFGFNEPNGNLQYQGKDITEFDFNFDQQTSQNIKNQL
AELNATNIYTVLDKIKLNAKMNILIRDKRFHYDRNNIAVGADESVVKEAH
REVINSSTEGLLLNIDKDIRKILSGYIVEIEDTEGLKEVINDRYDMLNIS
SLRQDGKTFIDFKKYNDKLPLYISNPNYKVNVYAVTKENTIINPSENGDT
STNGIKRILIFSKKGYEI
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 chain3hvd Chain A Residue 736 [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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PDB3hvd The protective antigen component of anthrax toxin forms functional octameric complexes.
Resolution3.209 Å
Binding residue
(original residue number in PDB)		D177 D179 D181 I183 E188
Binding residue
(residue number reindexed from 1)		D3 D5 D7 I9 E14
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0051260 protein homooligomerization
Cellular Component
GO:0005576 extracellular region

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Biological Process
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Cellular Component
External links
PDB RCSB:3hvd, PDBe:3hvd, PDBj:3hvd
PDBsum3hvd
PubMed19627991
UniProtQ08G54

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