Structure of PDB 2pir Chain A Binding Site BS02

Receptor Information
>2pir Chain A (length=250) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CQPIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKW
AKALPGFRNLHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNSRMLYFAPDL
VFNEYRMHKSRMYSQCVRMRHLSQEFGWLQITPQEFLCMKALLLFSIIPV
DGLKNQKFFDELRMNYIKELDRIIACKRKNPTSCSRRFYQLTKLLDSVQP
IARELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSGKVKPIYFHT
Ligand information
Ligand IDNK
InChIInChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
InChIKeySMQUZDBALVYZAC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C=O)O
ACDLabs 10.04O=Cc1ccccc1O
CACTVS 3.341Oc1ccccc1C=O
FormulaC7 H6 O2
NameSALICYLALDEHYDE
ChEMBLCHEMBL108925
DrugBank
ZINCZINC000000896073
PDB chain2pir 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

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PDB2pir A surface on the androgen receptor that allosterically regulates coactivator binding.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D732 A735 P817 G820 L821 K822
Binding residue
(residue number reindexed from 1)		D64 A67 P149 G152 L153 K154
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2pir, PDBe:2pir, PDBj:2pir
PDBsum2pir
PubMed17911242
UniProtP10275|ANDR_HUMAN Androgen receptor (Gene Name=AR)

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