Structure of PDB 5t4j Chain B Binding Site BS01

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 IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain5t4j Chain B Residue 501 [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)		T181 Y205 F250 D279 Y281 T309 S311 R319 S321
Binding residue
(residue number reindexed from 1)		T75 Y99 F144 D173 Y175 T203 S205 R213 S215
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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