Structure of PDB 4hlw Chain A

Receptor sequence
>4hlwA (length=244) Species: 9606 (Homo sapiens) [Search protein sequence]
QPIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWA
KALPGFRNLHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNSRMLYFAPDLV
FNEYRMHKSRMYSQCVRMRHLSQEFGWLQITPQEFLCMKALLLFSIIPVD
GLKNQKFFDELRMNYIKELDRIIATSCSRRFYQLTKLLDSVQPIARELHQ
FTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSGKVKPIYFHTQ
3D structure
PDB4hlw Targeting the Binding Function 3 (BF3) Site of the Androgen Receptor Through Virtual Screening. 2. Development of 2-((2-phenoxyethyl) thio)-1H-benzimidazole Derivatives.
ChainA
Resolution2.5 Å
3D
structure
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Enzymatic activity
Enzyme Commision number ?
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 TES A L701 L704 N705 Q711 F764 T877 L32 L35 N36 Q42 F95 T202 BindingDB: IC50=2.7nM,Ki=3.2nM,EC50=1.1nM
BS02 17W A F673 P723 N727 L830 E837 R840 F4 P54 N58 L161 E168 R171 PDBbind-CN: -logKd/Ki=5.38,IC50=4.2uM
BindingDB: IC50=4200nM
External links
PDB RCSB:4hlw, PDBe:4hlw, PDBj:4hlw
PDBsum4hlw
PubMed23301637
UniProtP10275|ANDR_HUMAN Androgen receptor (Gene Name=AR)

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