Structure of PDB 7d8u Chain B Binding Site BS01

Receptor Information
>7d8u Chain B (length=282) Species: 10497 (African swine fever virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEFMYFAGAKTGIYRAQTALISFIKQEIIQKISHQSWVIDLGIGKGQDLG
RYLDAGVRHLVGIDKDQTALAELVYRKFSHAHKHATNIYVLHQDLAEPAK
EISEKVHQIYGFPKEGASSIVSNLFIHYLMKNTQQVENLAVLCHKLLQPG
GMVWFTTMLGEQVLELLHENRIELNEVWEARENEVVKFAIKRLFKEDILQ
ETGQEIGVLLPFSNGDFYNEYLVNTAFLIKIFKHHGFSLVQKQSFKDWIP
EFQNFSKSLYKILTEADKTWTSLFGFICLRKN
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 chain7d8u Chain B Residue 901 [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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PDB7d8u Structure and Biochemical Characteristic of the Methyltransferase (MTase) Domain of RNA Capping Enzyme from African Swine Fever Virus.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		G624 Q629 D646 K647 D680 L681 N709 F711 Y714
Binding residue
(residue number reindexed from 1)		G42 Q47 D64 K65 D94 L95 N123 F125 Y128
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
2.7.7.50: mRNA guanylyltransferase.
3.6.1.74: mRNA 5'-phosphatase.
Gene Ontology
Molecular Function
GO:0004482 mRNA 5'-cap (guanine-N7-)-methyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:7d8u, PDBe:7d8u, PDBj:7d8u
PDBsum7d8u
PubMed33268516
UniProtP32094|MCE_ASFB7 mRNA-capping enzyme (Gene Name=Ba71V-101)

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