Structure of PDB 2oxt Chain D Binding Site BS01

Receptor Information
>2oxt Chain D (length=265) Species: 35279 (Meaban virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPGSTGASLGMMWKDKLNAMTKEEFTRYKRAGVMETDRKEARDYLKRGDG
KTGLSVSRGTAKLAWMEERGYVELTGRVVDLGCGRGGWSYYAASRPHVMD
VRAYTLGVGGHEVPRITESYGWNIVKFKSRVDIHTLPVERTDVIMCDVGE
SSPKWSVESERTIKILELLEKWKVKNPSADFVVKVLCPYSVEVMERLSVM
QRKWGGGLVRNPYSRNSTHEMYFTSRAGGNIIGAVTACTERLLGRMARRD
GPVVVPELNLGTGTR
Ligand information
Ligand IDSAM
InChIInChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChIKeyMEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
ACDLabs 10.04[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H22 N6 O5 S
NameS-ADENOSYLMETHIONINE
ChEMBLCHEMBL1235831
DrugBank
ZINC
PDB chain2oxt Chain D Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2oxt Structural bases for substrate recognition and activity in Meaban virus nucleoside-2'-O-methyltransferase
Resolution2.9 Å
Binding residue
(original residue number in PDB)		S57 G82 C83 G84 G87 W88 T105 L106 H111 E112 V131 D132 I133 H134 D147 V148
Binding residue
(residue number reindexed from 1)		S57 G82 C83 G84 G87 W88 T105 L106 H111 E112 V131 D132 I133 H134 D147 V148
Annotation score2
Enzymatic activity
Enzyme Commision number 3.4.21.91: flavivirin.
3.6.1.15: nucleoside-triphosphate phosphatase.
3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0004482 mRNA 5'-cap (guanine-N7-)-methyltransferase activity
GO:0004483 mRNA (nucleoside-2'-O-)-methyltransferase activity
GO:0008168 methyltransferase activity
Biological Process
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2oxt, PDBe:2oxt, PDBj:2oxt
PDBsum2oxt
PubMed17473012
UniProtA0EKU1

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