5AVL: LXRalpha

Crystal structure of LXRalpha in complex with tert-butyl benzoate analog, compound 32b. Determined by X-ray diffraction at 2.8 Å resolution. Released 26 Aug 2015.

Method: X-ray diffraction
Resolution: 2.8 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,041
Mol. weight: 36.18 kDa
Ligands: 4KQ
Released: 26 Aug 2015

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

Secondary structure: helices and β-sheets

5AVL contains 14 α-helices and 3 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, 3 β-strands

Element	Residues	Length	Sheet
α-helix	205-207	3
α-helix	208-220	13
α-helix	248-273	26
α-helix	278-280	3
α-helix	283-304	22
β-strand	306-307	2	1
β-strand	312-314	3	1
β-strand	320-322	3	1
α-helix	323-328	6
α-helix	333-348	16
α-helix	353-364	12
α-helix	375-396	22
α-helix	403-430	28
α-helix	434-436	3
α-helix	437-443	7

Chain B: 2 helices, 0 β-strands

Element	Residues	Length	Sheet
α-helix	683-686	4
α-helix	688-695	8

Molecules and chains

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

Sequence of entity 1 (A), FASTA

>5AVL_1 Oxysterols receptor LXR-alpha (chains A)
MKHQHQHQHQHQHQQPLQEEEQAHATSLPPRASSPPQILPQLSPEQLGMIEKLVAAQQQC
NRRSFSDRLRVTPWPMAPDPHSREARQQRFAHFTELAIVSVQEIVDFAKQLPGFLQLSRE
DQIALLKTSAIEVMLLETSRRYNPGSESITFLKDFSYNREDFAKAGLQVEFINPIFEFSR
AMNELQLNDAEFALLIAISIFSADRPNVQDQLQVERLQHTYVEALHAYVSIHHPHDRLMF
PRMLMKLVSLRTLSSVHSEQVFALRLQDKKLPPLLSEIWDVHE

Sequence of entity 2 (B), FASTA

>5AVL_2 Nuclear receptor coactivator 1 (chains B)
CPSSHSSLTERHKILHRLLQEGSPS

Ligands and cofactors

ID	Name	Formula	Copies
4KQ	2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)ph…	C27 H25 F3 O6	1

Primary citation

Discovery and structure-guided optimization of tert-butyl 6-(phenoxymethyl)-3-(trifluoromethyl)benzoates as liver X receptor agonists. Matsui, Y., Yamaguchi, T., Yamazaki, T. et al. Bioorg Med Chem Lett (2015) 25:3914-3920. DOI 10.1016/J.BMCL.2015.07.047 · PubMed

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

5HJS 1.72 Å, Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease
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
1UHL 2.9 Å, Crystal structure of the LXRalfa-RXRbeta LBD heterodimer

Browse structure collections

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