Structure of PDB 2pio Chain A Binding Site BS02

Receptor Information
>2pio Chain A (length=248) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWAK
ALPGFRNLHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNSRMLYFAPDLVF
NEYRMHKSRMYSQCVRMRHLSQEFGWLQITPQEFLCMKALLLFSIIPVDG
LKNQKFFDELRMNYIKELDRIIACKRKNPTSCSRRFYQLTKLLDSVQPIA
RELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSGKVKPIYFHT
Ligand information
Ligand ID2MI
InChIInChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3
InChIKeyBHNHHSOHWZKFOX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc2ccccc2[nH]1
CACTVS 3.341Cc1[nH]c2ccccc2c1
ACDLabs 10.04c1cccc2c1cc(n2)C
FormulaC9 H9 N
Name2-METHYL-1H-INDOLE
ChEMBLCHEMBL259419
DrugBank
ZINCZINC000001088076
PDB chain2pio Chain A Residue 933 [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]
PDB2pio A surface on the androgen receptor that allosterically regulates coactivator binding.
Resolution2.03 Å
Binding residue
(original residue number in PDB)		M734 I898
Binding residue
(residue number reindexed from 1)		M64 I228
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2pio, PDBe:2pio, PDBj:2pio
PDBsum2pio
PubMed17911242
UniProtP10275|ANDR_HUMAN Androgen receptor (Gene Name=AR)

[Back to BioLiP]