5WS3: Human orexin 2 receptor

Crystal structures of human orexin 2 receptor bound to the selective antagonist EMPA determined by serial femtosecond crystallography at SACLA. Determined by X-ray diffraction at 2.3 Å resolution. Released 13 Dec 2017.

Method: X-ray diffraction
Resolution: 2.3 Å
Organisms: Homo sapiens, Pyrococcus abyssi (strain GE5 / Orsay)
Chains: 1
Atoms: 4,224
Mol. weight: 66.27 kDa
Ligands: 7MA, OLA
Released: 13 Dec 2017

Explore 5WS3 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5WS3 contains 27 α-helices and 10 β-strands across 1 chain. 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: 27 helices, 10 β-strands

Element	Residues	Length	Sheet
α-helix	36-47	12
α-helix	49-51	3
α-helix	54-81	28
α-helix	83-85	3
α-helix	88-106	19
α-helix	108-117	10
α-helix	123-156	34
α-helix	166-183	18
α-helix	185-190	6
β-strand	191-196	6	1
β-strand	207-212	6	1
α-helix	218-228	11
α-helix	229-233	5
α-helix	234-247	14
α-helix	248-252	5
α-helix	1009-1011	3
α-helix	1016-1027	12
β-strand	1033-1038	6	2
β-strand	1041	1	3
α-helix	1048-1058	11
α-helix	1062-1066	5
β-strand	1067-1072	6	2
β-strand	1075	1	3
α-helix	1077-1089	13
β-strand	1093-1096	4	2
α-helix	1102-1109	8
β-strand	1114-1117	4	2
α-helix	1126-1133	8
α-helix	1136	1
β-strand	1137-1141	5	2
α-helix	1145-1149	5
β-strand	1156-1158	3	2
α-helix	1163-1177	15
α-helix	1182-324	46
α-helix	325-329	5
α-helix	339-367	29
α-helix	369-382	14

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Orexin receptor type 2,GlgA glycogen synthase,Orexin receptor type 2	A	protein	560	Homo sapiens, Pyrococcus abyssi (strain GE5 / Orsay)	O43614 (AlphaFold model), Q9V2J8 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5WS3_1 Orexin receptor type 2,GlgA glycogen synthase,Orexin receptor type 2 (chains A)
DYKDDDDAMGTKLEDSPPCRNWSSASELNETQEPFLNPTDYDDEEFLRYLWREYLHPKEY
EWVLIAGYIIVFVVALIGNVLVCVAVWKNHHMRTVTNYFIVNLSLADVLVTITCLPATLV
VDITETWFFGQSLCKVIPYLQTVSVSVSVLTLSCIALDRWYAICHPLMFKSTAKRARNSI
VIIWIVSCIIMIPQAIVMECSTVFPGLANKTTLFTVCDERWGGEIYPKMYHICFFLVTYM
APLCLMVLAYLQIFRKLWCRQGIDCSFWNESYLTGSRDERKKSLLSKFGMDEGVTFMFIG
RFDRGQKGVDVLLKAIEILSSKKEFQEMRFIIIGKGDPELEGWARSLEEKHGNVKVITEM
LSREFVRELYGSVDFVIIPSYFEPFGLVALEAMCLGAIPIASAVGGLRDIITNETGILVK
AGDPGELANAILKALELSRSDLSKFRENCKKRAMSFSKQIRARRKTARMLMVVLLVFAIC
YLPISILNVLKRVFGMFAHTEDRETVYAWFTFSHWLVYANSAANPIIYNFLSGKFREEFK
AAFSCCCLGVHHHHHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
7MA	N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3…	C23 H26 N4 O4 S	1
OLA	Oleic acid	C18 H34 O2	4

Water and common crystallization additives (1PE) are not listed.

Primary citation

Crystal Structures of Human Orexin 2 Receptor Bound to the Subtype-Selective Antagonist EMPA. Suno, R., Kimura, K.T., Nakane, T. et al. Structure (2018) 26:7-19.e5. DOI 10.1016/j.str.2017.11.005 · PubMed

Other PDB entries of the same protein (UniProt O43614 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5WQC 1.96 Å, Crystal structure of human orexin 2 receptor bound to the selective antagonist EMPA…
4S0V 2.5 Å, Crystal structure of the human OX2 orexin receptor bound to the insomnia drug Suvorexant
6TPN 2.61 Å, Crystal structure of the Orexin-2 receptor in complex with HTL6641 at 2.61 A resolution
6TPJ 2.74 Å, Crystal structure of the Orexin-2 receptor in complex with suvorexant at 2.76 A resolution
6TPG 2.74 Å, Crystal structure of the Orexin-2 receptor in complex with EMPA at 2.74 A resolution
7XRR 2.89 Å, Crystal structure of the human OX2R bound to the insomnia drug lemborexant.
7L1V 3.0 Å, Orexin Receptor 2 (OX2R) in Complex with G Protein and Small-Molecule Agonist Compound 1
7SQO 3.17 Å, Structure of the orexin-2 receptor(OX2R) bound to TAK-925, Gi and scFv16
7L1U 3.2 Å, Orexin Receptor 2 (OX2R) in Complex with G Protein and Natural Peptide-Agonist Orexin B…
21CI 3.29 Å, Crystal structure of human orexin type 2 receptor in complex with vornorexant
7SR8 3.3 Å, Molecular mechanism of the the wake-promoting agent TAK-925

Browse structure collections

About this viewer

MolViewer shows 5WS3 directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.