Structure of PDB 1tzo Chain I Binding Site BS01

Receptor Information
>1tzo Chain I (length=553) Species: 191218 (Bacillus anthracis str. A2012) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVPDRDNDGIPDSLEVEGYTVDVKNKRTFLSPWISNIHEKKGLTKYKSSP
EKWSTASDPYSDFEKVTGRIDKNVSPEARHPLVAAYPIVHVDMENIILSK
NEDSQTRTISKNTSTSRTHTSEVHGNAEVHASFFDIGGSVSAGFSNSNSS
TVAIDHSLSLAGERTWAETMGLNTADTARLNANIRYVNTGTAPIYNVLPT
TSLVLGKNQTLATIKAKENQLSQILAPNNYYPSKNLAPIALNAQDSSTPI
TMNYNQFLELEKTKQLRLDTDQVYGNIATYNFENGRVRVDTGSNWSEVLP
QIQETTARIIFNGKDLNLVERRIAAVNPSDPLETTKPDMTLKEALKIAFG
FNEPNGNLQYQGKDITEFDFNFDQQTSQNIKNQLAELNATNIYTVLDKIK
LNAKMNILIRDKRFHYDRNNIAVGADESVVKEAHREVINSSTEGLLLNID
KDIRKILSGYIVEIEDTEGLKEVINDRYDMLNISSLRQDGKTFIDFKKYN
DKLPLYISNPNYKVNVYAVTKENTIINPSENGDTSTNGIKKILIFSKKGY
EIG
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 chain1tzo Chain I 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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PDB1tzo Structure of heptameric protective antigen bound to an anthrax toxin receptor: A role for receptor in pH-dependent pore formation
Resolution3.6 Å
Binding residue
(original residue number in PDB)		D177 D179 D181 I183 E188 P223
Binding residue
(residue number reindexed from 1)		D4 D6 D8 I10 E15 P50
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:1tzo, PDBe:1tzo, PDBj:1tzo
PDBsum1tzo
PubMed15326297
UniProtP13423|PAG_BACAN Protective antigen (Gene Name=pagA)

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