Structure of PDB 1t7m Chain A Binding Site BS02

Receptor Information

>1t7m Chain A (length=249) Species: 9598 (Pan troglodytes) [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 ID

DHT

InChI

InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1

InChIKey

NVKAWKQGWWIWPM-ABEVXSGRSA-N

SMILES

Software	SMILES
CACTVS 3.341	C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
OpenEye OEToolkits 1.5.0	C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C
CACTVS 3.341	C[C]12CC[CH]3[CH](CC[CH]4CC(=O)CC[C]34C)[CH]1CC[CH]2O
OpenEye OEToolkits 1.5.0	CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C
ACDLabs 10.04	O=C2CC1CCC3C(C1(C)CC2)CCC4(C3CCC4O)C

Formula

C19 H30 O2

Name

5-ALPHA-DIHYDROTESTOSTERONE

PDB chain

1t7m Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	1t7m Recognition and accommodation at the androgen receptor coactivator binding interface.
Resolution	1.6 Å
Binding residue (original residue number in PDB)	L704 N705 Q711 M745 M749 F764 T877 M895
Binding residue (residue number reindexed from 1)	L35 N36 Q42 M76 M80 F95 T208 M226
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:1t7m, PDBe:1t7m, PDBj:1t7m
PDBsum	1t7m
PubMed	15328534
UniProt	O97775\|ANDR_PANTR Androgen receptor (Gene Name=AR)

[Back to BioLiP]