Structure of PDB 3mag Chain A Binding Site BS02

Receptor Information
>3mag Chain A (length=291) Species: 10245 (Vaccinia virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDVVSLDKPFMYFEEIDNELDYEPESANEVAKKLPYQGQLKLLLGELFFL
SKLQRHGILDGATVVYIGSAPGTHIRYLRDHFYNLGVIIKWMLIDGRHHD
PILNGLRDVTLVTRFVDEEYLRSIKKQLHPSKIILISDVRSPSTADLLSN
YALQNVMISILNPVASSLKWRCPFPDQWIKDFYIPHGNKMLQPFAPSYSA
EMRLLSIYTGENMRLTRVTKSDAVNYEKKMYYLNKIVRNKVVVNFDYPNQ
EYDYFHMYFMLRTVYCNKTFPTTKAKVLFLQQSIFRFLNIP
Ligand information
Ligand ID3MA
InChIInChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,1H3,(H2,7,8,9)/p+1
InChIKeyYLIQVEPMZVVUEK-UHFFFAOYSA-O
SMILES
SoftwareSMILES
ACDLabs 10.04n2c[n+](c1c(ncn1)c2N)C
CACTVS 3.341C[n+]1cnc(N)c2nc[nH]c12
OpenEye OEToolkits 1.5.0C[n+]1cnc(c2c1[nH]cn2)N
FormulaC6 H8 N5
Name6-AMINO-3-METHYLPURINE
ChEMBL
DrugBank
ZINC
PDB chain3mag Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3mag mRNA cap recognition: dominant role of enhanced stacking interactions between methylated bases and protein aromatic side chains.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y22 F180
Binding residue
(residue number reindexed from 1)		Y22 F174
Annotation score1
Binding affinityMOAD: Kd=86uM
PDBbind-CN: -logKd/Ki=4.07,Kd=86uM
Enzymatic activity
Enzyme Commision number 2.1.1.57: methyltransferase cap1.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003746 translation elongation factor activity
GO:0004483 mRNA (nucleoside-2'-O-)-methyltransferase activity
GO:0008168 methyltransferase activity
Biological Process
GO:0006370 7-methylguanosine mRNA capping
GO:0006412 translation
GO:0006414 translational elongation
GO:0031440 regulation of mRNA 3'-end processing
GO:0032259 methylation
Cellular Component
GO:0044423 virion component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3mag, PDBe:3mag, PDBj:3mag
PDBsum3mag
PubMed10377383
UniProtP07617|MCE_VACCW Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase (Gene Name=OPG102)

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