Structure of PDB 5h5e Chain A Binding Site BS01

Receptor Information
>5h5e Chain A (length=212) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHHHHHHLEVLSKYIIEHMEEGFSEWVILEYSQILREVGAENLILSSLPE
STTEKDIPQRLLKLGLRWTTKDLKGINEDFKDLELLKDGRVCLLDPRATI
DLQPEDATKFDYFVFGGILGDHPPRDRTKELKTAYPNLLISRRLGDKQMT
TDTAIRTTQLIIKDRIAFEDIKFIDYPEFRFNKNEATEMPFRYVLDKEGK
PILPEGMLDLIK
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 chain5h5e 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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PDB5h5e A flexible cofactor-binding loop in the novel arginine methyltransferase Sfm1.
Resolution2.09 Å
Binding residue
(original residue number in PDB)		L83 D84 P85 F104 G105 I107 G109 R114 R116 T117 L133 Q137 M138 A143
Binding residue
(residue number reindexed from 1)		L94 D95 P96 F115 G116 I118 G120 R125 R127 T128 L144 Q148 M149 A154
Annotation score5
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:5h5e, PDBe:5h5e, PDBj:5h5e
PDBsum5h5e
PubMed27990635
UniProtQ12314|SFM1_YEAST Protein arginine N-methyltransferase SFM1 (Gene Name=SFM1)

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