Structure of PDB 5c77 Chain B Binding Site BS01

Receptor Information
>5c77 Chain B (length=199) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYIIEHMEEGFSEWVILEYSQILREVGAENLILSSLPESTTEKDIPQRLL
KLGLRWTTKDLKGINEDFKDLELLKDGRVCLLDPRATIDLQPEDATKFDY
FVFGGILGDHPPRDRTKELKTAYPNLLISRRLGDKQMTTDTAIRTTQLII
KDRIAFEDIKFIDYPEFRFNTEMPFRYVLDKEGKPILPEGMLDLIKKDS
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 chain5c77 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5c77 Structural basis for Sfm1 functioning as a protein arginine methyltransferase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		L83 D84 P85 G105 G106 I107 L133 K136 M138 T140
Binding residue
(residue number reindexed from 1)		L82 D83 P84 G104 G105 I106 L132 K135 M137 T139
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:5c77, PDBe:5c77, PDBj:5c77
PDBsum5c77
PubMed27462434
UniProtQ12314|SFM1_YEAST Protein arginine N-methyltransferase SFM1 (Gene Name=SFM1)

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