3L0E: Potent Liver X Receptor Modulator

X-ray crystal structure of a Potent Liver X Receptor Modulator. Determined by X-ray diffraction at 2.3 Å resolution. Released 7 Apr 2010.

Method: X-ray diffraction
Resolution: 2.3 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,146
Mol. weight: 30.74 kDa
Ligands: G58
Released: 7 Apr 2010

Explore 3L0E in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3L0E contains 12 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: 11 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	222-244	23
α-helix	250-252	3
α-helix	261-288	28
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	417-443	27
α-helix	451-456	6

Chain B: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	743-750	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Oxysterols receptor LXR-beta	A	protein	253	Homo sapiens	P55055 (AlphaFold model)
Nuclear receptor coactivator 2	B	protein	12		Q15596 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>3L0E_1 Oxysterols receptor LXR-beta (chains A)
GSHMGEGEGVQLTAAQELMIQQLVAAQLQSNKRSFSDQPKVTPWPLGADPQSRDARQQRF
AHFTELAIISVQEIVDFAKQVPGFLQLGREDQIALLKASTIEIMLLETARRYNHETESIT
FLKDFTYSKDDFHRAGLQVEFINPIFEFSRAMSSLGLDDAEYALLIAINIFSADRPNVQE
PGRVEALQQPYVEALLSYTRIKRPQDQLRFPRMLMKLVSLRTLSSVHSEQVFALRLADAA
LPPLLSEIWDVHE

Sequence of entity 2 (B), FASTA

>3L0E_2 Nuclear receptor coactivator 2 (chains B)
KENALLRYLLDK

Ligands and cofactors

ID	Name	Formula	Copies
G58	N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methy…	C25 H23 Cl F N3 O4 S2	1

Primary citation

Discovery of tertiary sulfonamides as potent liver X receptor antagonists. Zuercher, W.J., Buckholz, R.G., Campobasso, N. et al. J Med Chem (2010) 53:3412-3416. DOI 10.1021/jm901797p · 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…
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
6K9H 2.5 Å, Human LXR-beta in complex with an agonist

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