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Receptor Information

>6w2y Chain A (length=663) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ERRAVYIGALFPMSGGWPGGQACQPAVEMALEDVNSRRDILPDYELKLIH
HDSKCDPGQATKYLYELLYNDPIKIILMPGCSSVSTLVAEAARMWNLIVL
SYGSSSPALSNRQRFPTFFRTHPSATLHNPTRVKLFEKWGWKKIATIQQT
TEVFTSTLDDLEERVKEAGIEITFRQSFFSDPAVPVKNLKRQDARIIVGL
FYETEARKVFCEVYKERLFGKKYVWFLIGWYADNWFKIYDPSINCTVDEM
TEAVEGHITTEIVMLNPANTRSISNMTSQEFVEKLTKRLKRHPEETGGFQ
EAPLAYDAIWALALALNKTSRLEDFNYNNQTITDQIYRAMNSSSFEGVSG
HVVFDASGSRMAWTLIEQLQGGSYKKIGYYDSTKDDLSWSKTDKWIGGSP
PADQTLVIKTFRFLSQKLFISVSVLSSLGIVLAVVCLSFNIYNSHVRYIQ
NSQPNLNNLTAVGCSLALAAVFPLGLDGYHIGRNQFPFVCQARLWLLGLG
FSLGYGSMFTKIWWVHTVFWKLYATVGLLVGMDVLTLAIWQIVDPLHRTI
ETFAKEEPDVSILPQLEHCSSRKMNTWLGIFYGYKGLLLLLGIFLAYETK
SNDHRAVGMAIYNVAVLCLITAPVTMILSSQQDAAFAFASLAIVFSSYIT
LVVLFVPKMRRLI

Ligand ID

L9Q

InChI

InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39H,3-17,19,21-38,42H2,1-2H3,(H,45,46)/b20-18-/t39-/m0/s1

InChIKey

JQKOHRZNEOQNJE-VYCVAHKRSA-N

SMILES

Software	SMILES
CACTVS 3.370	CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 1.7.0	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
CACTVS 3.370	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 1.7.0	CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
ACDLabs 12.01	O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC

Formula

C41 H80 N O8 P

Name

(1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate;
1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine

PDB chain

6w2y Chain A Residue 906 [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	6w2y Structures of metabotropic GABABreceptor.
Resolution	3.2 Å
Binding residue (original residue number in PDB)	L530 R549 L553 F557 G560 Y657 C699 T706
Binding residue (residue number reindexed from 1)	L474 R493 L497 F501 G504 Y582 C618 T625
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0004930	G protein-coupled receptor activity
GO:0004965	G protein-coupled GABA receptor activity

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

	Cellular Component
GO:0016020	membrane

PDB	RCSB:6w2y, PDBe:6w2y, PDBj:6w2y
PDBsum	6w2y
PubMed	32580208
UniProt	Q9UBS5\|GABR1_HUMAN Gamma-aminobutyric acid type B receptor subunit 1 (Gene Name=GABBR1)

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Structure of PDB 6w2y Chain A Binding Site BS02