Structure of PDB 5dm0 Chain A Binding Site BS01

Receptor Information
>5dm0 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 IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain5dm0 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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PDB5dm0 Insights into methyltransferase specificity and bioactivity of derivatives of the antibiotic plantazolicin.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		Q18 F21 G68 D91 S92 N113 A114 H131 C133 L136 F137
Binding residue
(residue number reindexed from 1)		Q17 F20 G67 D90 S91 N112 A113 H130 C132 L135 F136
Annotation score4
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:5dm0, PDBe:5dm0, PDBj:5dm0
PDBsum5dm0
PubMed25635336
UniProtA7Z2A9

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