Structure of PDB 6lit Chain A Binding Site BS02

Receptor Information
>6lit Chain A (length=198) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDIKALTTLCDLADRELVVIIGWAKHIPGFSSLSLGDQMSLLQSAWMEIL
ILGIVYRSLPYDDKLVYAEDYIMDEEHSRLAGLLELYRAILQLVRRYKKL
KVEKEEFVTLKALALANSDSMHIEDLEAVQKLQDLLHEALQDYELSQHHE
EPWRTGKLLLTLPLLRQTAAKAVQHFYSVKLQGKVPMHKLFLEMLEAK
Ligand information
Ligand ID2OH
InChIInChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
InChIKeyIISBACLAFKSPIT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Oc1ccc(cc1)C(c2ccc(O)cc2)(C)C
OpenEye OEToolkits 1.5.0CC(C)(c1ccc(cc1)O)c2ccc(cc2)O
CACTVS 3.341CC(C)(c1ccc(O)cc1)c2ccc(O)cc2
FormulaC15 H16 O2
Name4,4'-PROPANE-2,2-DIYLDIPHENOL;
4,4'-ISOPROPYLIDENEDIPHENOL;
BISPHENOL A
ChEMBLCHEMBL418971
DrugBankDB06973
ZINCZINC000000056434
PDB chain6lit Chain A Residue 501 [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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PDB6lit Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		L243 A247 M281 I288 Y301 L320 F410
Binding residue
(residue number reindexed from 1)		L9 A13 M47 I54 Y67 L86 F176
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6lit, PDBe:6lit, PDBj:6lit
PDBsum6lit
PubMed32795533
UniProtO95718|ERR2_HUMAN Steroid hormone receptor ERR2 (Gene Name=ESRRB)

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