Structure of PDB 5t4j Chain B Binding Site BS02

Receptor Information
>5t4j Chain B (length=360) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDWISFSHMSSDTDHFPIKSWFRCEQKAASRSYATLGDMSHPQGIYEVRA
AITRLISLTRGVKCRPEQMIIGAGTQVLMQLLTELLPKEAVYAMEEPGYR
RMYQLLKNAGKQVKTIMLDEKGMSIAEITRQQPDVLVTTPSHQFPSGTIM
PVSRRIQLLNWAAEEPARYIIEDDYDSEFTYDVESIPALQSLDRFQNVIY
MGTFSKSLLPGLRISYMVLPPELLRAYKQRGYDLQTCSSLTQLTLQEFIE
SGEYQKHIKKMKQHYKEKRERLITALEAEFSGEVTVKGANAGLHFVTEFD
TRRTEQDILSHAAGLQLEIFGMSRFNLKTGRPTLIIGFARLKEEDIQEGV
QRLFKAVYGH
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 chain5t4j Chain B 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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PDB5t4j PLP and GABA trigger GabR-mediated transcription regulation in Bacillus subtilis via external aldimine formation.
Resolution2.231 Å
Binding residue
(original residue number in PDB)		H114 M115 Y205 Y281 R430
Binding residue
(residue number reindexed from 1)		H8 M9 Y99 Y175 R324
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:5t4j, PDBe:5t4j, PDBj:5t4j
PDBsum5t4j
PubMed28348215
UniProtP94426|GABR_BACSU HTH-type transcriptional regulatory protein GabR (Gene Name=gabR)

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