Structure of PDB 6k92 Chain B Binding Site BS02

Receptor Information
>6k92 Chain B (length=294) Species: 981087 (Leishmania donovani BPK282A1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKHVLSIQSHVTHGYVGNKAATFPLQLHGFDVDAINTVSLSNHSGYPVIK
GHRMDLEEFTTIMEGLRANDFLSDYAYVLTGYINNRDIVRQVAATVAEIR
EARQKQGKKDAVFFCDPVMGDDGRLYCKEEVVEAYRELLTHADVATPNYF
EASILSTVEVKDLASAIEAANWFHTQGTPTVVIKSFADPTHLRFLLSCRD
TGSTKRYTGVVPYHEGRYTGTGDVFAASLVAFAHSDPMDLAVGKAMGVLQ
DLIKATIERGGSGKATLSSRELRVTSYPDRLQHPSSVALVTPLP
Ligand information
Ligand IDGT0
InChIInChI=1S/C9H13NO3/c1-6-9(12)8(5-13-2)7(4-11)3-10-6/h3,11-12H,4-5H2,1-2H3
InChIKeySVINQHQHARVZFF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c(c(c(cn1)CO)COC)O
CACTVS 3.370COCc1c(O)c(C)ncc1CO
ACDLabs 12.01Oc1c(c(cnc1C)CO)COC
FormulaC9 H13 N O3
Name5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol;
ginkgotoxin
ChEMBLCHEMBL1076875
DrugBank
ZINCZINC000011535715
PDB chain6k92 Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6k92 Structural attributes and substrate specificity of pyridoxal kinase from Leishmania donovani.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		S12 V19 H46 S47 Y85 Y129
Binding residue
(residue number reindexed from 1)		S9 V16 H43 S44 Y82 Y126
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.1.35: pyridoxal kinase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008478 pyridoxal kinase activity
GO:0016301 kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0009443 pyridoxal 5'-phosphate salvage
GO:0016310 phosphorylation
GO:0042816 vitamin B6 metabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6k92, PDBe:6k92, PDBj:6k92
PDBsum6k92
PubMed32105687
UniProtA0A3S7X3C0

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