Structure of PDB 4dcg Chain A Binding Site BS02

Receptor Information
>4dcg 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
YALQNVMISILNPVASSLKWRCPFPAQWIKDFYIPHGNKMLQPFAPSYSA
EMRLLSIYTGENMRLTRVTKSDAVNYEKKMYYLNKIVRNKVVVNFDYPNQ
EYDYFHMYFMLRTVYCNKTFPTTKAKVLFLQQSIFRFLNIP
Ligand information
Ligand IDMG7
InChIInChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1
InChIKeyOGHAROSJZRTIOK-KQYNXXCUSA-O
SMILES
SoftwareSMILES
CACTVS 3.341C[n+]1cn([CH]2O[CH](CO)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13
CACTVS 3.341C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c3N=C(N)NC(=O)c13
OpenEye OEToolkits 1.5.0C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
ACDLabs 10.04O=C1c2[n+](cn(c2N=C(N)N1)C3OC(C(O)C3O)CO)C
OpenEye OEToolkits 1.5.0C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)CO)O)O
FormulaC11 H16 N5 O5
Name7-METHYLGUANOSINE
ChEMBLCHEMBL1234293
DrugBankDB03493
ZINCZINC000018130229
PDB chain4dcg Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4dcg 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 P24 A27 F180 E233
Binding residue
(residue number reindexed from 1)		Y22 P24 A27 F174 E227
Annotation score1
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:4dcg, PDBe:4dcg, PDBj:4dcg
PDBsum4dcg
PubMed10377383
UniProtP07617|MCE_VACCW Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase (Gene Name=OPG102)

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