Structure of PDB 2pip Chain L Binding Site BS02

Receptor Information
>2pip Chain L (length=249) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWA
KALPGFRNLHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNSRMLYFAPDLV
FNEYRMHKSRMYSQCVRMRHLSQEFGWLQITPQEFLCMKALLLFSIIPVD
GLKNQKFFDELRMNYIKELDRIIACKRKNPTSCSRRFYQLTKLLDSVQPI
ARELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSGKVKPIYFHT
Ligand information
Ligand IDICO
InChIInChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
InChIKeyKMAKOBLIOCQGJP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)c1c[nH]c2ccccc12
ACDLabs 10.04O=C(O)c2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C(=O)O
FormulaC9 H7 N O2
Name1H-INDOLE-3-CARBOXYLIC ACID
ChEMBLCHEMBL387527
DrugBank
ZINCZINC000000158741
PDB chain2pip Chain L Residue 935 [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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PDB2pip A surface on the androgen receptor that allosterically regulates coactivator binding.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F673 N833 Y834
Binding residue
(residue number reindexed from 1)		F4 N164 Y165
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2pip, PDBe:2pip, PDBj:2pip
PDBsum2pip
PubMed17911242
UniProtP10275|ANDR_HUMAN Androgen receptor (Gene Name=AR)

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