Structure of PDB 2zkc Chain A Binding Site BS01

Receptor Information
>2zkc Chain A (length=226) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPYNKIVSHLLVAEPEKIYAMPDPTVPDSDIKALTTLCDLADRELVVIIG
WAKHIPGFSTLSLADQMSLLQSAWMEILILGVVYRSLSFEDELVYADDYI
MDEDQSKLAGLLDLNNAILQLVKKYKSMKLEKEEFVTLKAIALANSDSMH
IEDVEAVQKLQDVLHEALQDYEAGQHMEDPRRAGKMLMTLPLLRQTSTKA
VQHFYNIKLEGKVPMHKLFLEMLEAK
Ligand information
Ligand IDBPZ
InChIInChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2
InChIKeySDDLEVPIDBLVHC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C2(CCCCC2)c3ccc(cc3)O)O
ACDLabs 10.04Oc1ccc(cc1)C3(c2ccc(O)cc2)CCCCC3
CACTVS 3.341Oc1ccc(cc1)C2(CCCCC2)c3ccc(O)cc3
FormulaC18 H20 O2
Name4,4'-cyclohexane-1,1-diyldiphenol;
4,4-Cyclohexylidenebisphenol, bisphenol Z
ChEMBLCHEMBL1231453
DrugBankDB07485
ZINCZINC000000225610
PDB chain2zkc Chain A Residue 999 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2zkc Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with bisphenol Z
Resolution1.7 Å
Binding residue
(original residue number in PDB)		L268 E275 M306 L309 Y326 L345 N346 I349 F435 F450
Binding residue
(residue number reindexed from 1)		L37 E44 M75 L78 Y95 L114 N115 I118 F204 F219
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2zkc, PDBe:2zkc, PDBj:2zkc
PDBsum2zkc
PubMed
UniProtP62508|ERR3_HUMAN Estrogen-related receptor gamma (Gene Name=ESRRG)

[Back to BioLiP]