Structure of PDB 8rhg Chain A Binding Site BS01

Receptor Information
>8rhg Chain A (length=330) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLLRIDDHDFSMRPGFGGPAIPVGVDVQVESLDSISEVDMDFTMTLYLRH
YWKDERLSFPSTNNLSMTFDGRLVKKIWVPDMFFVHSKRSFIHDTTTDNV
MLRVQPDGKVLYSLRVTVTAMCNMDFSRFPLDTQTCSLEIESYAYTEDDL
MLYWKKGNDSLKTDERISLSQFLIQEFHTTTKLAFYSSTGWYNRLYINFT
LRRHIFFFLLQTYFPATLMVMLSWVSFWIDRRAVPARVPLGITTVLTMST
IITGVNASMPRVSYIKAVDIYLWVSFVFVFLSVLEYAAVNYLTTVQERKE
QDTHAIDKYSRIIFPAAYILFNLIYWSIFS
Ligand information
Ligand IDABU
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKeyBTCSSZJGUNDROE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NCCCC(O)=O
ACDLabs 12.01O=C(O)CCCN
OpenEye OEToolkits 1.7.0C(CC(=O)O)CN
FormulaC4 H9 N O2
NameGAMMA-AMINO-BUTANOIC ACID;
GAMMA(AMINO)-BUTYRIC ACID
ChEMBLCHEMBL96
DrugBankDB02530
ZINCZINC000001532620
PDB chain8rhg Chain A Residue 601 [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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PDB8rhg Divergent mechanisms of steroid inhibition in the human rho1 GABAA receptor
Resolution3.01 Å
Binding residue
(original residue number in PDB)		Y219 T265
Binding residue
(residue number reindexed from 1)		Y143 T189
Annotation score1
External links
PDB RCSB:8rhg, PDBe:8rhg, PDBj:8rhg
PDBsum8rhg
PubMed
UniProtP24046|GBRR1_HUMAN Gamma-aminobutyric acid receptor subunit rho-1 (Gene Name=GABRR1)

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