Structure of PDB 6rie Chain O Binding Site BS02

Receptor Information
>6rie Chain O (length=822) Species: 10245 (Vaccinia virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDANVVSFSTIATYIDALAKNASELEQRSTAYEINNELELVFIKPPLITL
TNVVNISTIQESFIRFTVTNKEGVKIRTKIPLSKVHGLDVKNVQLVDAID
NIVWEKKSLVTENRLHKECLLRLSTEERHIFLDYKKYGSSIRLELVNLIQ
AKTKNFTIDFKLKYFLGSGAQSKSSLLHAINHPKSRPNTSLEIEFTPRDN
ETVPYDELIKELTTLSRHIFMASPENVILSPPINAPIKTFMLPKQDIVGL
DLENLYAVTKTDGIPITIRVTSNGLYCYFTHLGYIIRYPVKRIIDSEVVV
FGEAVKDKNWTVYLIKLIENDRLEESKYVESKLVDICDRIVFKSKKYEGP
FTTTSEVVDMLSTYLPKQPEGVILFYSKGPKSNIDFKIKKENTIDQTANV
VFRYMSSEPIIFGESSIFVEYKKFSNDKGFPKEYGSGKIVLYNGVNYLNN
IYCLEYINTHNEVGIKSVVVPIKFIAEFLVNGEILKPRIDKTMKYINSED
YYGNQHNIIVEHLRDQSIKIGDINDKFRLNPEVSYFTNKRTRGPLGILSN
YVKTLLISMYCSKTFLDDSNKRKVLAIDFGNGADLEKYFYGEIALLVATD
PDADAIARGNERYNKLNSKTKYYKFDYIQETIRSDTFVSSVREVFYFGKF
NIIDWQFAIHYSFHPRHYATVMNNLSELTASGGKVLITTMDGDKLSKLTD
KKTFIIHKNLPSSENYMSVEKIADDRIVVYNPSTMSTPMTEYIIKKNDIV
RVFNEYGFVLVDNVDFATIIERSKKFINGASTMEDRPSTKNFFELNRGAI
KCEGLDVEDLLSYYVVYVFSKR
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 chain6rie Chain O 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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PDB6rie Structural Basis of Poxvirus Transcription: Transcribing and Capping Vaccinia Complexes.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		R548 L549 Y555 F556 D598 F599 D604 D620 R655 Q678 A680 Y683
Binding residue
(residue number reindexed from 1)		R528 L529 Y535 F536 D578 F579 D584 D600 R633 Q656 A658 Y661
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:0003723 RNA binding
GO:0004482 mRNA 5'-cap (guanine-N7-)-methyltransferase activity
GO:0004484 mRNA guanylyltransferase activity
GO:0004651 polynucleotide 5'-phosphatase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0008168 methyltransferase activity
GO:0016779 nucleotidyltransferase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0050355 inorganic triphosphate phosphatase activity
GO:0140818 mRNA 5'-triphosphate monophosphatase activity
Biological Process
GO:0006353 DNA-templated transcription termination
GO:0006370 7-methylguanosine mRNA capping
GO:0032259 methylation
GO:0106005 RNA 5'-cap (guanine-N7)-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:6rie, PDBe:6rie, PDBj:6rie
PDBsum6rie
PubMed31835031
UniProtP04298|MCEL_VACCW mRNA-capping enzyme catalytic subunit (Gene Name=OPG113)

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