4ZJ8: Human OX1 orexin receptor

Structures of the human OX1 orexin receptor bound to selective and dual antagonists. Determined by X-ray diffraction at 2.75 Å resolution. Released 9 Mar 2016.

Method: X-ray diffraction
Resolution: 2.75 Å
Organisms: Homo sapiens, Pyrococcus abyssi (strain GE5 / Orsay)
Chains: 1
Atoms: 4,135
Mol. weight: 64.83 kDa
Ligands: OLA, SUV
Released: 9 Mar 2016

Explore 4ZJ8 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4ZJ8 contains 26 α-helices and 8 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: 26 helices, 8 β-strands

Element	Residues	Length	Sheet
α-helix	28-36	9
α-helix	47-73	27
α-helix	80-94	15
α-helix	95-99	5
α-helix	100-109	10
α-helix	116-149	34
α-helix	151-153	3
α-helix	158-174	17
α-helix	177-182	6
β-strand	183-186	4	1
α-helix	189	1
β-strand	201-204	4	1
α-helix	210-220	11
α-helix	221-225	5
α-helix	226-242	17
α-helix	1009-1011	3
α-helix	1016-1026	11
β-strand	1033-1038	6	2
α-helix	1048-1057	10
α-helix	1063-1066	4
β-strand	1067-1072	6	2
α-helix	1077-1089	13
β-strand	1093-1096	4	2
α-helix	1102-1109	8
β-strand	1114-1117	4	2
α-helix	1126-1132	7
α-helix	1136	1
β-strand	1137-1141	5	2
α-helix	1145-1149	5
β-strand	1156-1158	3	2
α-helix	1163-1176	14
α-helix	1182-322	50
α-helix	334-361	28
α-helix	363-371	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
human OX1R fusion protein to P.abysii glycogen synthase	A	protein	553	Homo sapiens, Pyrococcus abyssi (strain GE5 / Orsay)	O43613 (AlphaFold model), Q9V2J8 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4ZJ8_1 human OX1R fusion protein to P.abysii glycogen synthase (chains A)
DYKDDDDAMEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAA
YVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESW
LFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVS
LAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMA
MAYFQIFRKLWGRQGIDCSFWNESYLTGSRDERKKSLLSKFGMDEGVTFMFIGRFDRGQK
GVDVLLKAIEILSSKKEFQEMRFIIIGKGDPELEGWARSLEEKHGNVKVITEMLSREFVR
ELYGSVDFVIIPSYFEPFGLVALEAMCLGAIPIASAVGGLRDIITNETGILVKAGDPGEL
ANAILKALELSRSDLSKFRENCKKRAMSFSKQMRARRKTAKMLMVVLLVFALCYLPISVL
NILKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCL
PGLHHHHHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
OLA	Oleic acid	C18 H34 O2	6
SUV	[(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(…	C23 H23 Cl N6 O2	1

Primary citation

Structure and ligand-binding mechanism of the human OX1 and OX2 orexin receptors. Yin, J., Babaoglu, K., Brautigam, C.A. et al. Nat Struct Mol Biol (2016) 23:293-299. DOI 10.1038/nsmb.3183 · PubMed

Other PDB entries of the same protein (UniProt O43613 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6TOD 2.11 Å, Crystal structure of the Orexin-1 receptor in complex with EMPA
6TOS 2.13 Å, Crystal structure of the Orexin-1 receptor in complex with GSK1059865
6TOT 2.22 Å, Crystal structure of the Orexin-1 receptor in complex with lemborexant
6TO7 2.26 Å, Crystal structure of the Orexin-1 receptor in complex with suvorexant at 2.29 A resolution
6TQ4 2.3 Å, Crystal structure of the Orexin-1 receptor in complex with Compound 16
6TP6 2.34 Å, Crystal structure of the Orexin-1 receptor in complex with filorexant
6TQ6 2.55 Å, Crystal structure of the Orexin-1 receptor in complex with Compound 14
6TQ9 2.65 Å, Crystal structure of the Orexin-1 receptor in complex with SB-408124
6TQ7 2.66 Å, Crystal structure of the Orexin-1 receptor in complex with SB-334867
4ZJC 2.83 Å, Structures of the human OX1 orexin receptor bound to selective and dual antagonists
6TP4 3.01 Å, Crystal structure of the Orexin-1 receptor in complex with ACT-462206
6TP3 3.04 Å, Crystal structure of the Orexin-1 receptor in complex with daridorexant

Browse structure collections

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