Structure of PDB 5h5f Chain A Binding Site BS01

Receptor Information
>5h5f Chain A (length=224) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHHHHHHLEVLFQGPHMASKYIIEHMEEGFSEWVILEYSQILREVGAENL
ILSSLPESTTEKDIPQRLLKLGLRWTTKDLKGINEDFKDLELLKDGRVCL
LDPRATIDLQPEDATKFDYFVFGGILGDHPPRDRTKELKTAYPNLLISRR
LGDKQMTTDTAIRTTQLIIKDRIAFEDIKFIDYPEFRFNKNEATEMPFRY
VLDKEGKPILPEGMLDLIKKDSAQ
Ligand information
Ligand IDSAM
InChIInChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChIKeyMEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
ACDLabs 10.04[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H22 N6 O5 S
NameS-ADENOSYLMETHIONINE
ChEMBLCHEMBL1235831
DrugBank
ZINC
PDB chain5h5f Chain A Residue 301 [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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PDB5h5f A flexible cofactor-binding loop in the novel arginine methyltransferase Sfm1.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		L83 D84 P85 G105 D115 R116 T117 L133 Q137 M138 A143
Binding residue
(residue number reindexed from 1)		L101 D102 P103 G123 D133 R134 T135 L151 Q155 M156 A161
Annotation score5
Binding affinityMOAD: Kd=37.2uM
PDBbind-CN: -logKd/Ki=4.43,Kd=37.2uM
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:5h5f, PDBe:5h5f, PDBj:5h5f
PDBsum5h5f
PubMed27990635
UniProtQ12314|SFM1_YEAST Protein arginine N-methyltransferase SFM1 (Gene Name=SFM1)

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