Structure of PDB 5h5d Chain A Binding Site BS01

Receptor Information
>5h5d Chain A (length=195) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKYIIEHMEEGFSEWVILEYSQILREVGAENLILSSLPESTTEKDIPQRL
LKLGLRWTTKDLKGINEDFKDLELLKDGRVCLLDPRATIDLQPEDATKFD
YFVFGGILGDDRTKELKTAYPNLLISRRLGDKQMTTDTAIRTTQLIIKDR
IAFEDIKFIDYPEFRFNKATEMPFRYVLDKEGKPILPEGMLDLIK
Ligand information
Ligand IDMTA
InChIInChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKeyWUUGFSXJNOTRMR-IOSLPCCCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSC)N
CACTVS 3.341CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
FormulaC11 H15 N5 O3 S
Name5'-DEOXY-5'-METHYLTHIOADENOSINE
ChEMBLCHEMBL277041
DrugBankDB02282
ZINCZINC000004228245
PDB chain5h5d Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5h5d A flexible cofactor-binding loop in the novel arginine methyltransferase Sfm1.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		L83 D84 P85 G105 T117 L133 M138 T140 A143
Binding residue
(residue number reindexed from 1)		L83 D84 P85 G105 T113 L129 M134 T136 A139
Annotation score3
Enzymatic activity
Enzyme Commision number 2.1.1.-
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0035241 protein-arginine omega-N monomethyltransferase activity
Biological Process
GO:0032259 methylation
Cellular Component
GO:0005575 cellular_component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5h5d, PDBe:5h5d, PDBj:5h5d
PDBsum5h5d
PubMed27990635
UniProtQ12314|SFM1_YEAST Protein arginine N-methyltransferase SFM1 (Gene Name=SFM1)

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