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Receptor Information

>7v1j Chain A (length=260) Species: 12542 (Omsk hemorrhagic fever virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MTLGDLWKRRLNNCTKEEFFAYRRTGILETERDKARELLRKGETNMGLAV
SRGTAKLAWLEERGYVNLKGEVVDLGCGRGGWSYYAASRPAVMGVKAYTI
GGKGHEAPKMVTSLGWNLIKFRAGMDVFTMQPHRADTVMCDIGESSPDAA
IEGERTRKVILLMEQWKNRNPSASCVFKVLAPYRPEVIEALHRFQLQWGG
GLVRTPFSRNSTHEMYYSTAISGNIVNSVNVQSRKLLARFGDQRGPIRVP
EMDLGVGTRH

Ligand ID

GTA

InChI

InChI=1S/C21H29N10O17P3/c1-29-6-31(17-10(29)18(36)28-21(23)27-17)20-14(35)12(33)8(46-20)3-44-50(39,40)48-51(41,42)47-49(37,38)43-2-7-11(32)13(34)19(45-7)30-5-26-9-15(22)24-4-25-16(9)30/h4-8,11-14,19-20,32-35H,2-3H2,1H3,(H7-,22,23,24,25,27,28,36,37,38,39,40,41,42)/p+1/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1

InChIKey

QQOHNVHGNZYSBP-XPWFQUROSA-O

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O
OpenEye OEToolkits 1.5.0	C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O
CACTVS 3.341	C[n+]1cn([C@@H]2O[C@H](CO[P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O)c6N=C(N)NC(=O)c16
CACTVS 3.341	C[n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O)c6N=C(N)NC(=O)c16
ACDLabs 10.04	O=C1NC(=Nc2c1[n+](cn2C3OC(C(O)C3O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)N

Formula

C21 H30 N10 O17 P3

Name

P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE;
7-METHYL-GPPPA

PDB chain

7v1j Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7v1j Crystal Structures of Flavivirus NS5 Guanylyltransferase Reveal a GMP-Arginine Adduct.
Resolution	1.98 Å
Binding residue (original residue number in PDB)	K13 L16 N17 C19 K21 F24 S151 P152 S216
Binding residue (residue number reindexed from 1)	K8 L11 N12 C14 K16 F19 S146 P147 S211
Annotation score	3

Enzyme Commision number

3.4.21.91: flavivirin.
3.6.1.15: nucleoside-triphosphate phosphatase.
3.6.4.13: RNA helicase.

	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

PDB	RCSB:7v1j, PDBe:7v1j, PDBj:7v1j
PDBsum	7v1j
PubMed	35758665
UniProt	C4TPE0

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Structure of PDB 7v1j Chain A Binding Site BS01