Structure of PDB 7eb2 Chain C Binding Site BS01

Receptor Information
>7eb2 Chain C (length=678) 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
FSLGYGSMFTKIWWVHTVFTLEPWKLYATVGLLVGMDVLTLAIWQIVDPL
HRTIETFAKEEPKEDIDVSILPQLEHCSSRKMNTWLGIFYGYKGLLLLLG
IFLAYETKSVSTEKINDHRAVGMAIYNVAVLCLITAPVTMILSSQQDAAF
AFASLAIVFSSYITLVVLFVPKMRRLIT
Ligand information
Ligand ID2C0
InChIInChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
InChIKeyKPYSYYIEGFHWSV-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Clc1ccc(cc1)C(CN)CC(=O)O
CACTVS 3.385NC[CH](CC(O)=O)c1ccc(Cl)cc1
OpenEye OEToolkits 1.7.6c1cc(ccc1C(CC(=O)O)CN)Cl
OpenEye OEToolkits 1.7.6c1cc(ccc1[C@@H](CC(=O)O)CN)Cl
CACTVS 3.385NC[C@H](CC(O)=O)c1ccc(Cl)cc1
FormulaC10 H12 Cl N O2
Namebaclofen;
(3R)-4-amino-3-(4-chlorophenyl)butanoic acid
ChEMBLCHEMBL301742
DrugBankDB08891
ZINCZINC000000000061
PDB chain7eb2 Chain C Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7eb2 Structural basis of GABA B receptor-G i protein coupling.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		W182 C246 S247 G268 H287 F366 Y367 W395 E466
Binding residue
(residue number reindexed from 1)		W17 C81 S82 G103 H122 F201 Y202 W230 E301
Annotation score1
Binding affinityBindingDB: EC50=1000nM,Ki=6000nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7eb2, PDBe:7eb2, PDBj:7eb2
PDBsum7eb2
PubMed33911284
UniProtQ9UBS5|GABR1_HUMAN Gamma-aminobutyric acid type B receptor subunit 1 (Gene Name=GABBR1)

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