Structure of PDB 6vra Chain F Binding Site BS01

Receptor Information
>6vra Chain F (length=541) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVPDRDNDGIPDSLEVEGYTVDVKNKRTFLSPWISNIHEKKGLTKYKSSP
EKWSTASDPYSDFEKVTGRIDKNVSPEARHPLVAAYPIVHVDMENIILSK
NEDSQTRTISKNTSTSRTHTSEVHGNAAGFSNSNSSTVAIDHSLSLAGER
TWAETMGLNTADTARLNANIRYVNTGTAPIYNVLPTTSLVLGKNQTLATI
KAKENQLSQILAPNNYYPSKNLAPIALNAQDDFSSTPITMNYNQFLELEK
TKQLRLDTDQVYGNIATYNFENGRVRVDTGSNWSEVLPQIQETTARIIFN
GKDLNLVERRIAAVNPSKPLETTKPDMTLKEALKIAFGFNEPNGNLQYQG
KDITEFDFNFDQQTSQNIKNQLAELNATNIYTVLDKIKLNAKMNILIRDK
RFHYDRNNIAVGADESVVKEAHREVINSSTEGLLLNIDKDIRKILSGYIV
EIEDTEGLKEVINDRYDMLNISSLRQDGKTFIDFKKYNDKLPLYISNPNY
KVNVYAVTKENTIINPSENGDTSTNGIKKILIFSKKGYEIG
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 chain6vra Chain F Residue 801 [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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PDB6vra Atomic Structures of Anthrax Prechannel Bound with Full-Length Lethal and Edema Factors.
Resolution3.3 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:6vra, PDBe:6vra, PDBj:6vra
PDBsum6vra
PubMed32521227
UniProtP13423|PAG_BACAN Protective antigen (Gene Name=pagA)

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