5JJM: Androgen receptor

Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain bound to DHT and LxxLL peptide. Determined by X-ray diffraction at 2.15 Å resolution. Released 15 Mar 2017.

Method: X-ray diffraction
Resolution: 2.15 Å
Organism: Homo sapiens
Chains: 12
Atoms: 8,848
Mol. weight: 125.82 kDa
Ligands: DHT, ZN
Released: 15 Mar 2017

Explore 5JJM in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5JJM contains 51 α-helices and 16 β-strands across 8 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	674-680	7
α-helix	697-721	25
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	851-881	31
α-helix	884-887	4
α-helix	893-901	9
α-helix	903-907	5
β-strand	911-913	3	2

Chain B: 12 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	674-680	7
α-helix	684-686	3
α-helix	697-721	25
α-helix	725-727	3
α-helix	730-757	28
β-strand	762-765	4	3
β-strand	768-770	3	3
α-helix	772-777	6
α-helix	781-796	16
α-helix	801-812	12
β-strand	815-817	3	4
α-helix	824-843	20
α-helix	851-881	31
α-helix	884-887	4
α-helix	893-907	15
β-strand	911-913	3	4

Chain C: 11 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	674-680	7
α-helix	697-720	24
α-helix	725-727	3
α-helix	730-757	28
β-strand	762-765	4	5
β-strand	768-770	3	5
α-helix	772-777	6
α-helix	781-796	16
α-helix	801-812	12
β-strand	815-817	3	6
α-helix	824-843	20
α-helix	851-881	31
α-helix	884-887	4
α-helix	893-908	16
β-strand	911-913	3	6

Chain D: 12 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	674-680	7
α-helix	697-721	25
α-helix	725-727	3
α-helix	730-757	28
β-strand	762-765	4	7
β-strand	768-770	3	7
α-helix	772-777	6
α-helix	781-796	16
α-helix	801-812	12
β-strand	815-817	3	8
α-helix	824-844	21
α-helix	851-883	33
α-helix	884-887	4
α-helix	893-907	15
β-strand	911-913	3	8
α-helix	914-915	2

Chain G: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	63-67	5

Chains H and I: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	63-68	6

Chain J: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	64-67	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Androgen receptor	A, C, D	protein	252	Homo sapiens	P10275 (AlphaFold model)
Unknown peptide	F, K, L, M	protein	3	Homo sapiens
Androgen receptor	B	protein	252	Homo sapiens	P10275 (AlphaFold model)
uba3-derived peptide	G, H, I, J	protein	8	Homo sapiens	Q8TBC4 (AlphaFold model)

Sequence of entity 1 (A, C, D), FASTA

>5JJM_1 Androgen receptor (chains A, C, D)
ECQPIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWAKALPGFRN
LHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNSRMLYFAPDLVFNEYRMHKSRMYSQCVRM
RHLSQEFGWLQITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELDRIIACKRK
NPTSCSRRFYQLTKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKIL
SGKVKPIYFHTQ

Sequence of entity 2 (F, K, L, M), FASTA

>5JJM_2 Unknown peptide (chains F, K, L, M)
MSD

Sequence of entity 3 (B), FASTA

>5JJM_3 Androgen receptor (chains B)
ECQPIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWAKALPGFRN
LHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNSRMLYFAPDLVFNEYRMHKSRMYSQCVRM
RHLSQEFGWLQITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELDRIIACKRK
NPTSCSRRFYQLTKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKIL
SGKVKPIYFHTQ

Sequence of entity 4 (G, H, I, J), FASTA

>5JJM_4 uba3-derived peptide (chains G, H, I, J)
SLQFLLDT

Ligands and cofactors

ID	Name	Formula	Copies
DHT	5-alpha-dihydrotestosterone	C19 H30 O2	4
ZN	Zinc ion	Zn	4

Water and common crystallization additives (CL, EDO, GOL, SO4, PGE, ACT) are not listed.

Primary citation

Structure of the homodimeric androgen receptor ligand-binding domain. Nadal, M., Prekovic, S., Gallastegui, N. et al. Nat Commun (2017) 8:14388-14388. DOI 10.1038/ncomms14388 · 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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