Structure of PDB 8rh8 Chain D Binding Site BS01

Receptor Information
>8rh8 Chain D (length=329) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLRIDDHDFSMRPGFGGPAIPVGVDVQVESLDSISEVDMDFTMTLYLRHY
WKDERLSFPSTNNLSMTFDGRLVKKIWVPDMFFVHSKRSFIHDTTTDNVM
LRVQPDGKVLYSLRVTVTAMCNMDFSRFPLDTQTCSLEIESYAYTEDDLM
LYWKKGNDSLKTDERISLSQFLIQEFHTTTKLAFYSSTGWYNRLYINFTL
RRHIFFFLLQTYFPATLMVMLSWVSFWIDRRAVPARVPLGITTVLTMSTI
ITGVNASMPRVSYIKAVDIYLWVSFVFVFLSVLEYAAVNYLTTVQERKEQ
DTHAIDKYSRIIFPAAYILFNLIYWSIFS
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 chain8rh8 Chain C 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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PDB8rh8 Divergent mechanisms of steroid inhibition in the human rho1 GABAA receptor
Resolution2.66 Å
Binding residue
(original residue number in PDB)		Y123 R125
Binding residue
(residue number reindexed from 1)		Y46 R48
Annotation score1
External links
PDB RCSB:8rh8, PDBe:8rh8, PDBj:8rh8
PDBsum8rh8
PubMed
UniProtP24046|GBRR1_HUMAN Gamma-aminobutyric acid receptor subunit rho-1 (Gene Name=GABRR1)

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