Structure of PDB 3kwv Chain E Binding Site BS01

Receptor Information
>3kwv Chain E (length=528) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVPDRDNDGIPDSLEVEGYTVDVKNKRTFLSPWISNIHEKKGLTKYKSSP
EKWSTASDPYSDFEKVTGRIDKNVSPEARHPLVAAYPIVHVDMENIILSK
NEQTRTISKNTSTSRTHTSEPGSNSNSSTVAIDHSLSTWAETMGLNTADT
ARLNANIRYVNTGTAPIYNVLPTTSLVLGKNQTLATIKAKENQLSQILAP
NNYYPSKNLAPIALNAQDDFSSTPITMNYNQFLELEKTKQLRLDTDQVYG
NIATYNFENGRVRVDTGSNWSEVLPQIQETTARIIFNGKDLNLVERRIAA
VNPSDPLETTKPDMTLKEALKIAFGFNEPNGNLQYQGKDITEFDFNFDQQ
TSQNIKNQLAELNATNIYTVLDKIKLNAKMNILIRDKRFHYDRNNIAVGA
DESVVKEAHREVINSSTEGLLLNIDKDIRKILSGYIVEIEDTEGLKEVIN
DRYDMLNISSLRQDGKTFIDFKKYNDKLPLYISNPNYKVNVYAVTKENTI
INPSENGDTSTNGIKKILIFSKKGYEIG
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 chain3kwv Chain E 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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PDB3kwv Structural basis for the unfolding of anthrax lethal factor by protective antigen oligomers.
Resolution3.101 Å
Binding residue
(original residue number in PDB)		D177 D179 D181 I183 E188
Binding residue
(residue number reindexed from 1)		D4 D6 D8 I10 E15
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:3kwv, PDBe:3kwv, PDBj:3kwv
PDBsum3kwv
PubMed21037566
UniProtP13423|PAG_BACAN Protective antigen (Gene Name=pagA)

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