Structure of PDB 4jdy Chain A Binding Site BS01

Receptor Information
>4jdy Chain A (length=264) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TARVKRGMAEMLKGGVIMDVVTPEQARIAEGAGAVAVMALERVPADIRAQ
GGVSRMSDPDMIEGIIAAVTIPVMAKVRIGHFVEAQILQTLGVDYIDESE
VLTPADYAHHIDKWNFTVPFVCGATNLGEALRRISEGAAMIRSKGEAGTG
DVSNATTHMRAIGGEIRRLTSMSEDELFVAAKELQAPYELVAEVARAGKL
PVTLFTAGGIATPADAAMMMQLGAEGVFVGSGIFKSGAPEHRAAAIVKAT
TFFDDPDVLAKVSR
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain4jdy Chain A Residue 301 [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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PDB4jdy Crystal structure of Mycobacterium tuberculosis Rv2606c: a pyridoxal biosynthesis lyase.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D29 K86 F238
Binding residue
(residue number reindexed from 1)		D19 K76 F228
Annotation score1
Enzymatic activity
Enzyme Commision number 4.3.3.6: pyridoxal 5'-phosphate synthase (glutamine hydrolyzing).
Gene Ontology
Biological Process
GO:0042819 vitamin B6 biosynthetic process
GO:0042823 pyridoxal phosphate biosynthetic process

View graph for
Biological Process
External links
PDB RCSB:4jdy, PDBe:4jdy, PDBj:4jdy
PDBsum4jdy
PubMed23643787
UniProtP9WII9|PDXS_MYCTU Pyridoxal 5'-phosphate synthase subunit PdxS (Gene Name=pdxS)

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