4S15: Nuclear receptor ROR-alpha

Crystal structure of the orphan nuclear receptor RORalpha ligand-binding domain in complex with 4alpha-caboxyl, 4beta-methyl-zymosterol (4ACD8). Determined by X-ray diffraction at 1.9 Å resolution. Released 11 Feb 2015.

Method: X-ray diffraction
Resolution: 1.9 Å
Organism: Homo sapiens
Chains: 4
Atoms: 4,630
Mol. weight: 63.52 kDa
Ligands: 4D8
Released: 11 Feb 2015

Explore 4S15 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4S15 contains 31 α-helices and 8 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: 14 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	270-287	18
α-helix	292-297	6
β-strand	302	1	1
α-helix	305-312	8
α-helix	316-339	24
α-helix	342-345	4
α-helix	349-368	20
α-helix	369-371	3
β-strand	372-373	2	1
β-strand	378-381	4	1
β-strand	384-386	3	1
α-helix	388-394	7
α-helix	397-411	15
α-helix	417-428	12
α-helix	439-459	21
α-helix	465-494	30
α-helix	496-502	7
α-helix	505-511	7

Chain B: 15 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	270-287	18
α-helix	292-296	5
β-strand	302	1	2
α-helix	303-304	2
α-helix	305-312	8
α-helix	316-339	24
α-helix	349-367	19
α-helix	368-371	4
β-strand	372-373	2	2
β-strand	378-381	4	2
β-strand	384-386	3	2
α-helix	388-394	7
α-helix	397-411	15
α-helix	417-428	12
α-helix	439-458	20
α-helix	466-494	29
α-helix	496-502	7
α-helix	505-511	7
α-helix	513-515	3

Chains C and D: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	499-504	6

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Nuclear receptor ROR-alpha	A, B	protein	256	Homo sapiens	P35398 (AlphaFold model)
Nuclear receptor-interacting protein 1	C, D	protein	12	Homo sapiens	P48552 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>4S15_1 Nuclear receptor ROR-alpha (chains A, B)
GSMAELEHLAQNISKSHLETCQYLREELQQITWQTFLQEEIENYQNKQREVMWQLCAIKI
TEAIQYVVEFAKRIDGFMELCQNDQIVLLKAGSLEVVFIRMCRAFDSQNNTVYFDGKYAS
PDVFKSLGCEDFISFVFEFGKSLCSMHLTEDEIALFSAFVLMSADRSWLQEKVKIEKLQQ
KIQLALQHVLQKNHREDGILTKLICKVSTLRALCGRHTEKLMAFKAIYPDIVRLHFPPLY
KELFTSEFEPAMQIDG

Sequence of entity 2 (C, D), FASTA

>4S15_2 Nuclear receptor-interacting protein 1 (chains C, D)
TLLQLLLGHKNE

Ligands and cofactors

ID	Name	Formula	Copies
4D8	(3beta,4alpha,5beta,14beta)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic…	C29 H46 O3	2

Water and common crystallization additives (GOL) are not listed.

Primary citation

Identification of Natural ROR gamma Ligands that Regulate the Development of Lymphoid Cells. Santori, F.R., Huang, P., van de Pavert, S.A. et al. Cell Metab (2015) 21:286-297. DOI 10.1016/j.cmet.2015.01.004 · PubMed

Other PDB entries of the same protein (UniProt P35398 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1N83 1.63 Å, Crystal Structure of the complex between the Orphan Nuclear Hormone Receptor…
1S0X 2.2 Å, Crystal structure of the human RORalpha ligand binding domain in complex with…

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