6JIO: Human LXR-beta

Human LXR-beta in complex with a ligand. Determined by X-ray diffraction at 2.6 Å resolution. Released 16 Oct 2019.

Method: X-ray diffraction
Resolution: 2.6 Å
Organism: Homo sapiens
Chains: 4
Atoms: 7,594
Mol. weight: 125.18 kDa
Ligands: BQ3
Released: 16 Oct 2019

Explore 6JIO in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6JIO contains 46 α-helices and 13 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: 11 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	222-237	16
α-helix	263-287	25
α-helix	297-318	22
β-strand	321	1	1
β-strand	326-329	4	1
β-strand	333-336	4	1
α-helix	337-342	6
α-helix	347-363	17
α-helix	367-378	12
α-helix	389-410	22
α-helix	417-443	27
α-helix	448-450	3
α-helix	451-457	7
α-helix	469-475	7

Chain B: 12 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	222-236	15
α-helix	251-253	3
α-helix	266-287	22
α-helix	297-318	22
β-strand	321	1	2
β-strand	326-329	4	2
β-strand	333-336	4	2
α-helix	337-342	6
α-helix	347-362	16
α-helix	367-378	12
α-helix	389-410	22
α-helix	417-443	27
α-helix	448-450	3
α-helix	451-457	7
α-helix	469-475	7

Chain C: 10 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	222-237	16
α-helix	266-288	23
α-helix	297-318	22
β-strand	321	1	3
β-strand	326-329	4	3
β-strand	333-336	4	3
α-helix	337-342	6
α-helix	347-363	17
α-helix	367-378	12
α-helix	389-410	22
α-helix	417-444	28
α-helix	451-457	7
α-helix	469-476	8

Chain D: 13 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	222-235	14
α-helix	248-249	2
α-helix	251	1
α-helix	261-287	27
α-helix	297-318	22
β-strand	321	1	4
β-strand	326	1	4
β-strand	327-329	3	5
β-strand	333-335	3	5
α-helix	337-342	6
α-helix	347-363	17
α-helix	367-378	12
α-helix	389-410	22
α-helix	417-444	28
α-helix	448-450	3
α-helix	451-457	7
α-helix	469-476	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Oxysterols receptor LXR-beta	A, B, C, D	protein	274	Homo sapiens	P55055 (AlphaFold model)

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

>6JIO_1 Oxysterols receptor LXR-beta (chains A, B, C, D)
MGHHHHHHGEGVQLTAAQELMIQQLVAAQLQCNKRSFSDQPKVTPWPLGADPASGSASQQ
RFAHFTELAIISVQEIVDFAKQVPGFLQLGREDQIALLKASTIEIMLLETARRYNHETEC
ITFLKDFTYSKDDFHRAGLQVEFINPIFEFSRAMRRLGLDDAEYALLIAINIFSADRPNV
QEPGRVEALQQPYVEALLSYTRIKRPQDQLRFPRMLMKLVSLRTLSSVHSEQVFALRLQD
KKLPPLLSEIWDVHEGSGSGSHKILHRLLQDSSS

Ligands and cofactors

ID	Name	Formula	Copies
BQ3	tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate	C14 H20 N2 O2	2

Primary citation

Identify liver X receptor beta modulator building blocks by developing a fluorescence polarization-based competition assay. Zhang, Z., Chen, H., Chen, Z. et al. Eur J Med Chem (2019) 178:458-467. DOI 10.1016/j.ejmech.2019.06.011 · PubMed

Other PDB entries of the same protein (UniProt P55055 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6S5K 1.6 Å, LXRbeta ligand binding domain in complex with small molecule inhibitors
6S4N 1.9 Å, LXRbeta ligand binding domain in comlpex with small molecule inhibitors
6S4T 2.0 Å, LXRbeta ligand binding domain in comlpex with small molecule inhibitors
4RAK 2.04 Å, Crystal structure of nuclear receptor subfamily 1, group h, member 2 (lxrb) complexed…
1PQ9 2.1 Å, Human lxr beta hormone receptor complexed with T0901317 complex
1UPV 2.1 Å, Crystal structure of the human Liver X receptor beta ligand binding domain in complex…
3L0E 2.3 Å, X-ray crystal structure of a Potent Liver X Receptor Modulator
1PQ6 2.4 Å, Human lxr beta hormone receptor / GW3965 complex
1UPW 2.4 Å, Crystal structure of the human Liver X receptor beta ligand binding domain in complex…
3KFC 2.4 Å, Complex Structure of LXR with an agonist
5JY3 2.4 Å, Crystal structure of lxrbeta (nuclear receptor subfamily 1, group H, member 2) complexed…
4DK7 2.45 Å, Crystal structure of LXR ligand binding domain in complex with full agonist 1

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