Structure of PDB 5jdy Chain A Binding Site BS02

Receptor Information
>5jdy Chain A (length=241) Species: 337 (Burkholderia glumae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARFDSIGGLFEDFTQSAAQRAIEVRTIFHMIGDVSGKSVLDLACGFGFFG
REIYRRGAAKVVGVDISEKMIELAREESRKYGDPLEFHVRDVANMEPLGQ
FDLVNAAWLFNYADSVENLRKMFKVVRASLKPDGKLVAYTVDPDFSLAKG
NFAKYGVNVLNERAWGPGYRHDAEFVTDPPSQFSFYRWSRADYESAIADA
GFSHFEWQKPLLEADDIATHPPGFWDVFQNNCLQTGLVCKP
Ligand information
Ligand IDTOF
InChIInChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
InChIKeySLGRAIAQIAUZAQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C2N=C1C(=NC=NN1C)C(=O)N2C
CACTVS 3.370CN1N=CN=C2C(=O)N(C)C(=O)N=C12
OpenEye OEToolkits 1.7.0CN1C2=NC(=O)N(C(=O)C2=NC=N1)C
FormulaC7 H7 N5 O2
Name1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione;
Toxoflavin
ChEMBLCHEMBL578512
DrugBank
ZINCZINC000000342245
PDB chain5jdy Chain A Residue 302 [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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PDB5jdy Burkholderia glumae ToxA Is a Dual-Specificity Methyltransferase That Catalyzes the Last Two Steps of Toxoflavin Biosynthesis.
Resolution1.77 Å
Binding residue
(original residue number in PDB)		F14 F17 Q23 E27 W112 N115 Y116 F187 F189 L237
Binding residue
(residue number reindexed from 1)		F10 F13 Q19 E23 W108 N111 Y112 F183 F185 L233
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
Biological Process
GO:0032259 methylation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5jdy, PDBe:5jdy, PDBj:5jdy
PDBsum5jdy
PubMed27070241
UniProtQ9LBJ0

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