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Receptor Information

>6tos Chain B (length=307) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

YLYPKQYAWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFLVNL
SLADVLATAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLS
FIALDRWYAICHPLLFKSTARRALGSILGIWAVSLAIMVPQAAVMECSSV
LPELAARTRAFSVCDERWADDLAPKIYHSCFFIVTYLAPLGLMAMAYFQI
FRKLWGRQIPGTTSAEVKQMRARRKTAKMLMVVVLVFALCYLPISVLNVL
KRVFGMFRQASDREAVYAAFTFSHWLVYANSAANPIIYNFLSGKFREQFK
AAFSWWL

Ligand ID

PGW

InChI

InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-/t37-,38+/m0/s1

InChIKey

PAZGBAOHGQRCBP-HGWHEPCSSA-N

SMILES

Software	SMILES
CACTVS 3.341	CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC
CACTVS 3.341	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC
ACDLabs 10.04	O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCC\C=C/CCCCCCCC

Formula

C40 H77 O10 P

Name

(1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate;
1-Palmitoyl-2-Oleoyl-sn-Glycero-3-[Phospho-(1-glycerol)];
PHOSPHATIDYLGLYCEROL

PDB chain

6tos Chain B Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6tos Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
Resolution	2.13 Å
Binding residue (original residue number in PDB)	A174 I175 V177 A181 V182 W206 I214 Y215 C218
Binding residue (residue number reindexed from 1)	A136 I137 V139 A143 V144 W168 I176 Y177 C180
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0004930	G protein-coupled receptor activity
GO:0016499	orexin receptor activity

	Biological Process
GO:0007186	G protein-coupled receptor signaling pathway
GO:0007631	feeding behavior

	Cellular Component
GO:0016020	membrane

PDB	RCSB:6tos, PDBe:6tos, PDBj:6tos
PDBsum	6tos
PubMed	31860301
UniProt	O43613\|OX1R_HUMAN Orexin/Hypocretin receptor type 1 (Gene Name=HCRTR1)

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Structure of PDB 6tos Chain B Binding Site BS03