Structure of PDB 1eqa Chain A Binding Site BS02

Receptor Information
>1eqa 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
EMRLLSIYTGENMRLTRVTKSDAVNYQKKMYYLNKIVRNKVVVNFDYPNQ
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 chain1eqa 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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PDB1eqa mRNA cap recognition: dominant role of enhanced stacking interactions between methylated bases and protein aromatic side chains.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Y22 A27 F180 Q233
Binding residue
(residue number reindexed from 1)		Y22 A27 F174 Q227
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.57: methyltransferase cap1.
Gene Ontology
Molecular Function
GO:0003746 translation elongation factor activity
GO:0004483 mRNA (nucleoside-2'-O-)-methyltransferase activity
Biological Process
GO:0006370 7-methylguanosine mRNA capping
GO:0031440 regulation of mRNA 3'-end processing

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1eqa, PDBe:1eqa, PDBj:1eqa
PDBsum1eqa
PubMed10377383
UniProtP07617|MCE_VACCW Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase (Gene Name=OPG102)

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