Structure of PDB 3ead Chain A Binding Site BS03

Receptor Information
>3ead Chain A (length=111) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IRMYFEPGHYTVMENCGEFEVRVVRRGDISTYASVEYETQDGTASAGTDF
VGRKGLLSFPPGVDEQRFRIEVIDDDVFEEDECFYIRLFNPSEGVKLAVP
MIATVMILDDD
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 chain3ead Chain A Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ead Crystal structures of progressive Ca2+ binding states of the Ca2+ sensor Ca2+ binding domain 1 (CBD1) from the CALX Na+/Ca2+ exchanger reveal incremental conformational transitions.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		E455 D516 V518 E520 D550 D552
Binding residue
(residue number reindexed from 1)		E14 D75 V77 E79 D109 D111
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0007154 cell communication
Cellular Component
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:3ead, PDBe:3ead, PDBj:3ead
PDBsum3ead
PubMed19815561
UniProtA0A0B4K6E2

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