Structure of PDB 5x03 Chain A Binding Site BS02

Receptor Information
>5x03 Chain A (length=363) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DWISFSHMSSDTDHFPIKSWFRCEQKAASRSYRTLGDMSHPQGIYEVRAA
ITRLISLTRGVKCRPEQMIIGAGTQVLMQLLTELLPKEAVYAMEEPGYRR
MYQLLKNAGKQVKTIMLDEKGMSIAEITRQQPDVLVTTPSHQFPSGTIMP
VSRRIQLLNWAAEEPRRYIIEDDYDSEFTYDVDSIPALQSLDRFQNVIYM
GTFSKSLLPGLRISYMVLPPELLRAYKQRGYDLQTCSSLTQLTLQEFIES
GEYQKHIKKMKQHYKEKRERLITALEAEFSGEVTVKGANAGLHFVTEFDT
RRTEQDILSHAAGLQLEIFGMSRFNLKENKRQTGRPALIIGFARLKEEDI
QEGVQRLFKAVYG
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 chain5x03 Chain A Residue 502 [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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PDB5x03 Crystal structure of the C-terminal domain of Bacillus subtilis GabR reveals a closed conformation by gamma-aminobutyric acid binding, inducing transcriptional activation
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H114 R207 Y281 R430
Binding residue
(residue number reindexed from 1)		H7 R100 Y174 R323
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009058 biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5x03, PDBe:5x03, PDBj:5x03
PDBsum5x03
PubMed28412355
UniProtP94426|GABR_BACSU HTH-type transcriptional regulatory protein GabR (Gene Name=gabR)

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