7ZU1: Mutant AR-LBD

Crystal structure of mutant AR-LBD (V758A) bound to dihydrotestosterone. Determined by X-ray diffraction at 1.68 Å resolution. Released 22 Mar 2023.

Method: X-ray diffraction
Resolution: 1.68 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,135
Mol. weight: 29.73 kDa
Ligands: LI, DTT, DHT
Released: 22 Mar 2023

Explore 7ZU1 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7ZU1 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	673-681	9
α-helix	698-721	24
α-helix	726-728	3
α-helix	731-758	28
β-strand	763-766	4	1
β-strand	769-771	3	1
α-helix	773-778	6
α-helix	782-797	16
α-helix	802-812	11
β-strand	816-818	3	2
α-helix	825-844	20
α-helix	853-883	31
α-helix	885-888	4
α-helix	894-902	9
α-helix	904-908	5
β-strand	912-914	3	2
α-helix	915-916	2

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Androgen receptor	A	protein	249	Homo sapiens	P10275 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>7ZU1_1 Androgen receptor (chains A)
PIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWAKALPGFRNLHV
DDQMAVIQYSWMGLMVFAMGWRSFTNANSRMLYFAPDLVFNEYRMHKSRMYSQCVRMRHL
SQEFGWLQITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELDRIIACKRKNPT
SCSRRFYQLTKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSGK
VKPIYFHTQ

Ligands and cofactors

ID	Name	Formula	Copies
LI	Lithium ion	Li	1
DTT	2,3-dihydroxy-1,4-dithiobutane	C4 H10 O2 S2	1
DHT	5-alpha-dihydrotestosterone	C19 H30 O2	1

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

Primary citation

A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance. Alegre-Marti, A., Jimenez-Panizo, A., Martinez-Tebar, A. et al. Sci Adv (2023) 9:eade2175-eade2175. DOI 10.1126/sciadv.ade2175 · 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
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

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