Structure of PDB 1av6 Chain A Binding Site BS03

Receptor Information
>1av6 Chain A (length=289) Species: 10254 (Vaccinia virus WR) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVSLDKPFMYFEEIDNELDYEPESANEVAKKLPYQGQLKLLLGELFFLSK
LQRHGILDGATVVYIGSAPGTHIRYLRDHFYNLGVIIKWMLIDGRHHDPI
LNGLRDVTLVTRFVDEEYLRSIKKQLHPSKIILISDVRSPSTADLLSNYA
LQNVMISILNPVASSLKWRCPFPDQWIKDFYIPHGNKMLQPFAPSYSAEM
RLLSIYTGENMRLTRVTKSDAVNYEKKMYYLNKIVRNKVVVNFDYPNQEY
DYFHMYFMLRTVYCNKTFPTTKAKVLFLQQSIFRFLNIP
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 chain1av6 Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1av6 Structural basis for sequence-nonspecific recognition of 5'-capped mRNA by a cap-modifying enzyme.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Q39 L42 Y66 G68 A70 P71 G72 H74 D95 F115 V116 D138
Binding residue
(residue number reindexed from 1)		Q37 L40 Y64 G66 A68 P69 G70 H72 D93 F113 V114 D136
Annotation score5
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:1av6, PDBe:1av6, PDBj:1av6
PDBsum1av6
PubMed9660928
UniProtP07617|MCE_VACCW Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase (Gene Name=OPG102)

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