3KFC: Complex Structure of LXR with an agonist

Complex Structure of LXR with an agonist. Determined by X-ray diffraction at 2.4 Å resolution. Released 8 Dec 2009.

Method: X-ray diffraction
Resolution: 2.4 Å
Organism: Homo sapiens
Chains: 4
Atoms: 7,304
Mol. weight: 117.56 kDa
Ligands: 61X
Released: 8 Dec 2009

Explore 3KFC in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3KFC contains 44 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: 13 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	222-244	23
α-helix	246-248	3
α-helix	250-251	2
α-helix	264-288	25
α-helix	292-294	3
α-helix	297-318	22
β-strand	320-321	2	1
β-strand	326-329	4	1
β-strand	333-335	3	1
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

Chain B: 11 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	222-240	19
α-helix	250-252	3
α-helix	263-286	24
α-helix	292-294	3
α-helix	297-318	22
β-strand	320	1	2
β-strand	327-328	2	2
β-strand	334-335	2	2
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

Chain C: 8 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	222-237	16
α-helix	269-287	19
α-helix	292-294	3
α-helix	297-318	22
β-strand	320-321	2	3
β-strand	326-329	4	3
β-strand	333-335	3	3
α-helix	350-362	13
α-helix	367-378	12
α-helix	389-410	22
α-helix	417-438	22

Chain D: 12 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	222-238	17
α-helix	241-245	5
α-helix	246-248	3
α-helix	250-254	5
α-helix	264-286	23
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	337-342	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

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Oxysterols receptor LXR-beta	A, B, C, D	protein	253	Homo sapiens	P55055 (AlphaFold model)

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

>3KFC_1 Oxysterols receptor LXR-beta (chains A, B, C, D)
GSHMGEGEGVQLTAAQELMIQQLVAAQLQCNKRSFSDQPKVTPWPLGADPQSRDARQQRF
AHFTELAIISVQEIVDFAKQVPGFLQLGREDQIALLKASTIEIMLLETARRYNHETECIT
FLKDFTYSKDDFHRAGLQVEFINPIFEFSRAMRRLGLDDAEYALLIAINIFSADRPNVQE
PGRVEALQQPYVEALLSYTRIKRPQDQLRFPRMLMKLVSLRTLSSVHSEQVFALRLQDKK
LPPLLSEIWDVHE

Ligands and cofactors

ID	Name	Formula	Copies
61X	4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline	C23 H16 F3 N O3 S	3

Primary citation

4-(3-Aryloxyaryl)quinoline sulfones are potent liver X receptor agonists. Bernotas, R.C., Singhaus, R.R., Kaufman, D.H. et al. Bioorg Med Chem Lett (2010) 20:209-212. DOI 10.1016/j.bmcl.2009.10.132 · 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…
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
6K9H 2.5 Å, Human LXR-beta in complex with an agonist

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