5HJS: Oxysterols receptor LXR-alpha

Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease. Determined by X-ray diffraction at 1.72 Å resolution. Released 6 Apr 2016.

Method: X-ray diffraction
Resolution: 1.72 Å
Organism: Homo sapiens
Chains: 4
Atoms: 4,366
Mol. weight: 72.57 kDa
Ligands: 668
Released: 6 Apr 2016

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

Secondary structure: helices and β-sheets

5HJS contains 27 α-helices and 6 β-strands across 4 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, 3 β-strands

Element	Residues	Length	Sheet
α-helix	44-56	13
α-helix	71-74	4
α-helix	83-108	26
α-helix	114-116	3
α-helix	119-140	22
β-strand	142-143	2	1
β-strand	148-151	4	1
β-strand	155-158	4	1
α-helix	159-164	6
α-helix	169-185	17
α-helix	189-200	12
α-helix	211-232	22
α-helix	239-266	28
α-helix	270-272	3
α-helix	273-279	7

Chain B: 11 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	44-57	14
α-helix	71-74	4
α-helix	83-109	27
α-helix	119-139	21
β-strand	142-143	2	2
β-strand	148-151	4	2
β-strand	155-157	3	2
α-helix	159-164	6
α-helix	169-185	17
α-helix	189-200	12
α-helix	211-232	22
α-helix	239-266	28
α-helix	270-272	3
α-helix	273-279	7

Chain C: 2 helices, 0 β-strands

Element	Residues	Length	Sheet
α-helix	-1-1	3
α-helix	3-10	8

Chain D: 2 helices, 0 β-strands

Element	Residues	Length	Sheet
α-helix	-2-1	4
α-helix	3-10	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Oxysterols receptor LXR-alpha	A, B	protein	283	Homo sapiens	Q13133 (AlphaFold model)
Nuclear receptor coactivator 1	C, D	protein	25	Homo sapiens	Q15788 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>5HJS_1 Oxysterols receptor LXR-alpha (chains A, B)
MKHQHQHQHQHQHQQPLQEEEQAHATSLPPRASSPPQILPQLSPEQLGMIEKLVAAQQQC
NRRSFSDRLRVTPWPMAPDPHSREARQQRFAHFTELAIVSVQEIVDFAKQLPGFLQLSRE
DQIALLKTSAIEVMLLETSRRYNPGSESITFLKDFSYNREDFAKAGLQVEFINPIFEFSR
AMNELQLNDAEFALLIAISIFSADRPNVQDQLQVERLQHTYVEALHAYVSIHHPHDRLMF
PRMLMKLVSLRTLSSVHSEQVFALRLQDKKLPPLLSEIWDVHE

Sequence of entity 2 (C, D), FASTA

>5HJS_2 Nuclear receptor coactivator 1 (chains C, D)
CPSSHSSLTERHKILHRLLQEGSPS

Ligands and cofactors

ID	Name	Formula	Copies
668	2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipip…	C25 H35 Cl F3 N3 O3	2

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

Primary citation

Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease. Stachel, S.J., Zerbinatti, C., Rudd, M.T. et al. J Med Chem (2016) 59:3489-3498. DOI 10.1021/acs.jmedchem.6b00176 · PubMed

Other PDB entries of the same protein (UniProt Q13133 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3IPQ 2.0 Å, X-ray structure of GW3965 synthetic agonist bound to the LXR-alpha
3IPS 2.26 Å, X-ray structure of benzisoxazole synthetic agonist bound to the LXR-alpha
3IPU 2.4 Å, X-ray structure of benzisoxazole urea synthetic agonist bound to the LXR-alpha
5AVI 2.7 Å, Crystal structure of LXRalpha in complex with tert-butyl benzoate analog, compound 4
5AVL 2.8 Å, Crystal structure of LXRalpha in complex with tert-butyl benzoate analog, compound 32b
1UHL 2.9 Å, Crystal structure of the LXRalfa-RXRbeta LBD heterodimer

Browse structure collections

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