Structure of PDB 2gp7 Chain A Binding Site BS01

Receptor Information
>2gp7 Chain A (length=224) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKIVSHLLVAEPEKIYAMPDPTVPDSDIKALTTLCDLADRELVVIIGWAK
HIPGFSTLSLADQMSLLQSAWMEILILGVVYRSLSFEDELVYADDYIMDE
DQSKLAGLLDLNNAILQLVKKYKSMKLEKEEFVTLKAIALANSDSMHIED
VEAVQKLQDVLHEALQDYEAGQHMEDPRRAGKMLMTLPLLRQTSTKAVQH
FYNIKLEGKVPMHKLFLEMLEAKV
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 chain2gp7 Chain A Residue 600 [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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PDB2gp7 X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		V243 A244 E245
Binding residue
(residue number reindexed from 1)		V9 A10 E11
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2gp7, PDBe:2gp7, PDBj:2gp7
PDBsum2gp7
PubMed16990259
UniProtP62508|ERR3_HUMAN Estrogen-related receptor gamma (Gene Name=ESRRG)

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