8E1A: Androgen receptor

Structure-based study to overcome cross-reactivity of novel androgen receptor inhibitors. Determined by X-ray diffraction at 1.2 Å resolution. Released 14 Sept 2022.

Method: X-ray diffraction
Resolution: 1.2 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,445
Mol. weight: 32.68 kDa
Ligands: 3E0
Released: 14 Sept 2022

Explore 8E1A in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8E1A contains 13 α-helices and 4 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 13 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	672-680	9
α-helix	697-720	24
α-helix	725-727	3
α-helix	730-757	28
β-strand	762-765	4	1
β-strand	768-770	3	1
α-helix	772-777	6
α-helix	781-796	16
α-helix	801-812	12
β-strand	815-817	3	2
α-helix	824-843	20
α-helix	849-882	34
α-helix	884-887	4
α-helix	893-897	5
α-helix	898-902	5
α-helix	903-907	5
β-strand	911-913	3	2

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Androgen receptor	A	protein	277	Homo sapiens	P10275 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>8E1A_1 Androgen receptor (chains A)
MGSSHHHHHHSSGLVPRGSHMIEGYECQPIFLNVLEAIEPGVVCAGHDNNQPDSFAALLS
SLNELGERQLVHVVKWAKALPGFRNLHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNSRML
YFAPDLVFNEYRMHKSRMYSQCVRMRHLSQEFGWLQITPQEFLCMKALLLFSIIPVDGLK
NQKFFDELRMNYIKELDRIIACKRKNPTSCSRRFYQLTKLLDSVQPIARELHQFAFDLLI
KSHMVSVDFPEMMAEIISVQVPKILSGKVKPIYFHTQ

Ligands and cofactors

ID	Name	Formula	Copies
3E0	4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine	C14 H15 F N2 O2 S	1

Water and common crystallization additives (EDO) are not listed.

Primary citation

Structure-Based Study to Overcome Cross-Reactivity of Novel Androgen Receptor Inhibitors. Radaeva, M., Li, H., LeBlanc, E. et al. Cells (2022) 11. DOI 10.3390/cells11182785 · PubMed

Other PDB entries of the same protein (UniProt P10275 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7ZTZ 1.4 Å, Crystal structure of mutant AR-LBD (Y764C) bound to dihydrotestosterone
4OHA 1.42 Å, Crystal structure of T877A-AR-LBD bound with co-regulator peptide
5V8Q 1.44 Å, Synthesis and biological evaluation of novel selective androgen receptor modulators…
2AX6 1.5 Å, Crystal Structure Of The Androgen Receptor Ligand Binding Domain T877A Mutant In Complex…
3L3X 1.55 Å, Crystal structure of DHT-bound androgen receptor in complex with the first motif of…
8FH0 1.59 Å, Crystal structure of mutant Androgen Receptor ligand binding domain H875Y/F877L/T878A…
8FH2 1.59 Å, Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y with DHT
8FGZ 1.61 Å, Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y/F877L…
2AM9 1.64 Å, Crystal structure of human androgen receptor ligand binding domain in complex with…
2AX9 1.65 Å, Crystal Structure Of The Androgen Receptor Ligand Binding Domain In Complex With R-3
2PNU 1.65 Å, Crystal structure of human androgen receptor ligand-binding domain in complex with EM-5744
3B66 1.65 Å, Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-21

Browse structure collections

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