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Receptor Information

>6tp3 Chain A (length=314) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LRYLWRDYLYPKQYAWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVT
NYFLVNLSLADVLATAICLPASLLVDITESWLFGHALCKVIPYLQAVSVS
VAVLTLSFIALDRWYAICHPLLFKSTARRALGSILGIWAVSLAIMVPQAA
VMECSSVLPELAARTRAFSVCDERWADDLAPKIYHSCFFIVTYLAPLGLM
AMAYFQIFRKLWGRQIPGTTSAEVKQMRARRKTAKMLMVVVLVFALCYLP
ISVLNVLKRVFGMFRQASDREAVYAAFTFSHWLVYANSAANPIIYNFLSG
KFREQFKAAFSWWL

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

6tp3 Chain B Residue 403 [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	6tp3 Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
Resolution	3.04 Å
Binding residue (original residue number in PDB)	A174 V177 P178 W206 Y215
Binding residue (residue number reindexed from 1)	A143 V146 P147 W175 Y184
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:6tp3, PDBe:6tp3, PDBj:6tp3
PDBsum	6tp3
PubMed	31860301
UniProt	O43613\|OX1R_HUMAN Orexin/Hypocretin receptor type 1 (Gene Name=HCRTR1)

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Structure of PDB 6tp3 Chain A Binding Site BS03