Structure of PDB 5dly Chain A Binding Site BS01

Receptor Information
>5dly Chain A (length=266) Species: 326423 (Bacillus velezensis FZB42) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIETIVRESEANRIQAQTWFSHPEKSKVSFRYDERETSSIRSISIETFLS
FYSSKFNREPYSVLDIGCGQGQVIQYLNSRFQKIELTGIDSSAQAISSAK
KLGINASFICSNAENIMQYVSKKQDIIFIHLCFGLFKNPIAIVNTLIHLL
SDQSCIYIVDLDRNSLGEGLNTAQSREEEAYLKDQYRASLTMEEFKQLLH
VVTKEQHGVSFHVGNSFIGGFDETSSQFFSLMRNRNLQDALRTSVGEQLK
QSQMPALLHGWIIKNK
Ligand information
Ligand ID5D7
InChIInChI=1S/C12H19N5O2S/c1-2-6-19-11(18)9-7-20-10(17-9)8(13)4-3-5-16-12(14)15/h2,7-8H,1,3-6,13H2,(H4,14,15,16)/t8-/m0/s1
InChIKeyQJCBJWZIVFJHDU-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2C=CCOC(=O)c1csc(n1)C(CCCNC(=N)N)N
ACDLabs 12.01O=C(OC[C@H]=C)c1csc(n1)C(CCCN/C(N)=N)N
OpenEye OEToolkits 1.9.2[H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)C(=O)OCC=C)N
CACTVS 3.385N[CH](CCCNC(N)=N)c1scc(n1)C(=O)OCC=C
CACTVS 3.385N[C@@H](CCCNC(N)=N)c1scc(n1)C(=O)OCC=C
FormulaC12 H19 N5 O2 S
Nameprop-2-en-1-yl 2-[(1S)-1-amino-4-carbamimidamidobutyl]-1,3-thiazole-4-carboxylate
ChEMBL
DrugBank
ZINCZINC000263620941
PDB chain5dly Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5dly Insights into methyltransferase specificity and bioactivity of derivatives of the antibiotic plantazolicin.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		D34 T38 L132 D161 L162 Y182 L183 Q186
Binding residue
(residue number reindexed from 1)		D33 T37 L131 D160 L161 Y181 L182 Q185
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:5dly, PDBe:5dly, PDBj:5dly
PDBsum5dly
PubMed25635336
UniProtA7Z2A9

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