5JY3: Lxrbeta

Crystal structure of lxrbeta (nuclear receptor subfamily 1, group H, member 2) complexed with bms-852927. Determined by X-ray diffraction at 2.4 Å resolution. Released 2 Nov 2016.

Method: X-ray diffraction
Resolution: 2.4 Å
Organism: Homo sapiens
Chains: 4
Atoms: 7,798
Mol. weight: 124.79 kDa
Ligands: 6OX, BU1
Released: 2 Nov 2016

Explore 5JY3 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5JY3 contains 45 α-helices and 12 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	222-239	18
α-helix	250-252	3
α-helix	262-287	26
α-helix	292-294	3
α-helix	297-319	23
β-strand	320-321	2	1
β-strand	326-329	4	1
β-strand	333-335	3	1
α-helix	337-341	5
α-helix	347-363	17
α-helix	367-378	12
α-helix	389-410	22
α-helix	417-436	20
α-helix	451-457	7

Chain B: 13 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	222-240	19
α-helix	250-252	3
α-helix	262-287	26
α-helix	292-294	3
α-helix	297-318	22
β-strand	320-321	2	2
β-strand	326-329	4	2
β-strand	333-336	4	2
α-helix	337-341	5
α-helix	347-363	17
α-helix	367-378	12
α-helix	389-410	22
α-helix	417-436	20
α-helix	439-443	5
α-helix	448-450	3
α-helix	451-456	6

Chain C: 10 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	222-242	21
α-helix	263-287	25
α-helix	292-294	3
α-helix	297-318	22
β-strand	320-321	2	3
β-strand	326-328	3	3
β-strand	334-336	3	3
α-helix	337-342	6
α-helix	347-362	16
α-helix	367-378	12
α-helix	389-410	22
α-helix	417-435	19
α-helix	451-457	7

Chain D: 11 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	222-240	19
α-helix	263-287	25
α-helix	292-294	3
α-helix	297-318	22
β-strand	320-321	2	4
β-strand	326-329	4	4
β-strand	333-335	3	4
α-helix	337-341	5
α-helix	347-361	15
α-helix	367-378	12
α-helix	389-410	22
α-helix	417-437	21
α-helix	439-443	5
α-helix	451-457	7

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Oxysterols receptor LXR-beta	A, B, C, D	protein	264	Homo sapiens	P55055 (AlphaFold model)

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

>5JY3_1 Oxysterols receptor LXR-beta (chains A, B, C, D)
MHHHHHHGENLYFQGSEGEGVQLTAAQELMIQQLVAAQLQCNKRSFSDQPKVTPWPLGAD
PQSRDARQQRFAHFTELAIISVQEIVDFAKQVPGFLQLGREDQIALLKASTIEIMLLETA
RRYNHETECITFLKDFTYSKDDFHRAGLQVEFINPIFEFSRAMRRLGLDDAEYALLIAIN
IFSADRPNVQEPGRVEALQQPYVEALLSYTRIKRPQDQLRFPRMLMKLVSLRTLSSVHSE
QVFALRLQDKKLPPLLSEIWDVHE

Ligands and cofactors

ID	Name	Formula	Copies
6OX	2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-…	C29 H28 Cl2 F2 N2 O4 S	4
BU1	1,4-butanediol	C4 H10 O2	2

Primary citation

Discovery of Highly Potent Liver X Receptor beta Agonists. Kick, E.K., Busch, B.B., Martin, R. et al. ACS Med Chem Lett (2016) 7:1207-1212. DOI 10.1021/acsmedchemlett.6b00234 · 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
4DK7 2.45 Å, Crystal structure of LXR ligand binding domain in complex with full agonist 1
6K9H 2.5 Å, Human LXR-beta in complex with an agonist

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