Structure of PDB 4kpp Chain A Binding Site BS01

Receptor Information
>4kpp Chain A (length=395) Species: 224325 (Archaeoglobus fulgidus DSM 4304) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFTKEKFQLLAISSLTLPWLISLAFNYHHPALTQTLLSGLAVVSASFLIS
WAAETAEMDVPRSFSLAIVALLAVLPEYAVDGYFAWKAGSVGGEYVHYAT
ANMTGANRLLIGIGWSLVAFIAFRTLKSKEVELDDGIRLEIFFLFLATLY
AFTLPLKGHISPFDALVFVSLYAIYIYLSTKAEREEVEVGGVPAYLCSLK
TETRRLSVVVLFLFAGFTILMSVEAFSEGLLETARIAGIDEFLAVQWIAP
LASESPELIVAIYFVRRFRVSASMNALISSKVNQWTLLIGTIAIIYSISA
FKLQSLPLDARQSEEVLLTAAQSLFAVAILLDLKISWKEASALFLLFIVQ
LLFPGVEVRYIISAIYIILSLPILFAKRKEIVESFRTVKRLISLE
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 chain4kpp Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4kpp Structural basis for the counter-transport mechanism of a H+/Ca2+ exchanger.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		I330 D333 K335 E340
Binding residue
(residue number reindexed from 1)		I329 D332 K334 E339
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4kpp, PDBe:4kpp, PDBj:4kpp
PDBsum4kpp
PubMed23704374
UniProtO29988

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