4OHA: T877A-AR-LBD

Crystal structure of T877A-AR-LBD bound with co-regulator peptide. Determined by X-ray diffraction at 1.42 Å resolution. Released 20 Aug 2014.

Method: X-ray diffraction
Resolution: 1.42 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,354
Mol. weight: 30.84 kDa
Ligands: HFT
Released: 20 Aug 2014

Explore 4OHA in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4OHA contains 13 α-helices and 4 β-strands across 2 chains. 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: 12 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	801-811	11
β-strand	815-817	3	2
α-helix	824-842	19
α-helix	852-882	31
α-helix	884-887	4
α-helix	893-901	9
α-helix	903-907	5
β-strand	911-913	3	2

Chain B: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	2-7	6

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Androgen receptor	A	protein	250	Homo sapiens	P10275 (AlphaFold model)
co-regulator peptide	B	protein	12

Sequence of entity 1 (A), FASTA

>4OHA_1 Androgen receptor (chains A)
QPIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWAKALPGFRNLH
VDDQMAVIQYSWMGLMVFAMGWRSFTNVNSAMLYFAPDLVFNEYRMHKSRMYSQCVRMRH
LSQEFGWLQITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELDRIIACKRKNP
TSCSRRFYQLTKLLDSVQPIARELHQFAFDLLIKSHMVSVDFPEMMAEIISVQVPKILSG
KVKPIYFHTQ

Sequence of entity 2 (B), FASTA

>4OHA_2 co-regulator peptide (chains B)
SDSAFSRLYTRS

Ligands and cofactors

ID	Name	Formula	Copies
HFT	Hydroxyflutamide	C11 H11 F3 N2 O4	1

Water and common crystallization additives (SO4) are not listed.

Primary citation

Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis. Hsu, C.L., Liu, J.S., Wu, P.L. et al. Mol Oncol (2014) 8:1575-1587. DOI 10.1016/j.molonc.2014.06.009 · PubMed

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

8E1A 1.2 Å, Structure-based study to overcome cross-reactivity of novel androgen receptor inhibitors
7ZTZ 1.4 Å, Crystal structure of mutant AR-LBD (Y764C) bound to dihydrotestosterone
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

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