Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T11211 Target Info
Target Name Androgen receptor (AR)
Synonyms Testosterone receptor; Nuclear receptor subfamily 3 group C member 4; NR3C4; Dihydrotestosterone receptor; DHTR
Target Type Successful Target
Gene Name AR
Biochemical Class Nuclear hormone receptor
UniProt ID
ANDR_HUMAN
Ligand General Information  Top
Ligand Name Liothyronine Ligand Info
Canonical SMILES C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O
InChI 1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
InChIKey AUYYCJSJGJYCDS-LBPRGKRZSA-N
PubChem Compound ID 5920
Drug Binding Sites of Target  Top
PDB ID: 2PIV      Androgen receptor with small molecule
Method X-ray diffraction Resolution 1.95 Å Mutation No [1]
PDB Sequence
QPIFLNVLEA
679
IEPGVVCAGH
689
DNNQPDSFAA
699
LLSSLNELGE
709
RQLVHVVKWA
719

KALPGFRNLH
729
VDDQMAVIQY
739
SWMGLMVFAM
749
GWRSFTNVNS
759
RMLYFAPDLV
769

FNEYRMHKSR
779
MYSQCVRMRH
789
LSQEFGWLQI
799
TPQEFLCMKA
809
LLLFSIIPVD
819

GLKNQKFFDE
829
LRMNYIKELD
839
RIIACKRKNP
849
TSCSRRFYQL
859
TKLLDSVQPI
869

ARELHQFTFD
879
LLIKSHMVSV
889
DFPEMMAEII
899
SVQVPKILSG
909
KVKPIYFHT
Residue
Distance (Å)
PRO671
3.740
ILE672
3.078
PHE673
3.335
PRO723
3.882
GLY724
3.515
ASN727
4.306
Residue
Distance (Å)
GLU829
3.576
LEU830
4.336
ASN833
3.612
TYR834
3.482
GLU837
3.058
ARG840
3.078
PDB ID: 2PIW      Androgen receptor with small molecule
Method X-ray diffraction Resolution 2.58 Å Mutation No [1]
PDB Sequence
PIFLNVLEAI
680
EPGVVCAGHD
690
NNQPDSFAAL
700
LSSLNELGER
710
QLVHVVKWAK
720

ALPGFRNLHV
730
DDQMAVIQYS
740
WMGLMVFAMG
750
WRSFTNVNSR
760
MLYFAPDLVF
770

NEYRMHKSRM
780
YSQCVRMRHL
790
SQEFGWLQIT
800
PQEFLCMKAL
810
LLFSIIPVDG
820

LKNQKFFDEL
830
RMNYIKELDR
840
IIACKRKNPT
850
SCSRRFYQLT
860
KLLDSVQPIA
870

RELHQFTFDL
880
LIKSHMVSVD
890
FPEMMAEIIS
900
VQVPKILSGK
910
VKPIYFHT
Residue
Distance (Å)
PRO671
4.853
ILE672
3.301
PHE673
3.537
LEU712
3.938
VAL716
3.742
LYS717
3.021
LYS720
4.794
PRO723
3.731
GLY724
3.518
ARG726
4.983
ASN727
2.833
MET734
4.339
Residue
Distance (Å)
ILE737
3.459
GLN738
4.135
PHE826
3.581
GLU829
3.251
LEU830
4.208
ASN833
3.527
TYR834
3.392
GLU837
3.230
ARG840
3.195
MET894
2.725
ILE898
3.125
References  Top
REF 1 A surface on the androgen receptor that allosterically regulates coactivator binding. Proc Natl Acad Sci U S A. 2007 Oct 9;104(41):16074-9.

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