Structure of PDB 6evk Chain C Binding Site BS02
Receptor Information
>6evk Chain C (length=727) Species:
1129347
(Influenza A virus (A/little yellow-shouldered bat/Guatemala/060/2010(H17N10))) [
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SGMERIKELMEMVKNSRMREILTTTSVDHMAVIKKYTSGRQEKNPALRMK
WMMAMKYPISASSRIREMIPEKDEDGNTLWTNTKDAGSNRVLVSPNAVTW
WNRAGPVSDVVHYPRVYKMYFDRLERLTHGTFGPVKFYNQVKVRKRVDIN
PGHKDLTSREAQEVIMEVVFPNEVGARTLSSDAQLTITKEKKEELKNCKI
SPIMVAYMLERELVRRTRFLPIAGATSSTYVEVLHLTQGTCWEQQYTPGG
EAENDDLDQTLIIASRNIVRRSIVAIDPLASLLSMCHTTSISSEPLVEIL
RSNPTDEQAVNICKAALGIRINSFSFGGYNFKRVKGSSQRTEKAVLTGNL
QTLTMTIFEGYEEFNVSGKRASAVLKKGAQRLIQAIIGGRTLEDILNLMI
TLMVFSQEEKMLKAVRGDLNFVNQRLNPMYQLLRHFQKDSSTLLKNWGTE
EIDPIMGIAGIMPDGTINKTQTLMGVRLSQRVNIDKYLRVRNEKGELLIS
PEEVSEAQGQEKLPINYNSSLMWEVNGPESILTNTYHWIIKNWELLKTQW
MTDPTVLYNRIEFEPFQTLIPKGNRAIYSGFTRTLFQQMRDVEGTFDSIQ
IIKLLPFSAHPPSLGRTQFSSFTLNIRGAPLRLLIRGNSQVFNYNQMENV
IIVLGKSVGSPERSILTESSSIESAVLRGFLILGKANSKYGPVLTIGELD
KLGRGEKANVLIGQGDTVLVMKRKRDS
Ligand information
Ligand ID
MGP
InChI
InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/p+1/t4-,6-,7-,10-/m1/s1
InChIKey
DKVRNHPCAOHRSI-KQYNXXCUSA-O
SMILES
Software
SMILES
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)OP(=O)(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)=O)[C@@H](O)[C@H]2O)c3N=C(N)NC(=O)c13
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)O)O)O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2c[n+](c1c2N=C(N)NC1=O)C)C(O)C3O
CACTVS 3.341
C[n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13
Formula
C11 H19 N5 O14 P3
Name
7-METHYL-GUANOSINE-5'-TRIPHOSPHATE
ChEMBL
CHEMBL1234303
DrugBank
DB02716
ZINC
ZINC000015601432
PDB chain
6evk Chain C Residue 901 [
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Receptor-Ligand Complex Structure
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PDB
6evk
Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Resolution
2.9 Å
Binding residue
(original residue number in PDB)
F323 R339 T355 F357 E361 F363 K376 F404 Q406 N429 M431
Binding residue
(residue number reindexed from 1)
F324 R340 T356 F358 E362 F364 K377 F405 Q407 N427 M429
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0003723
RNA binding
Biological Process
GO:0006351
DNA-templated transcription
GO:0006370
7-methylguanosine mRNA capping
GO:0019083
viral transcription
GO:0039523
symbiont-mediated suppression of host mRNA transcription via inhibition of RNA polymerase II activity
GO:0075526
cap snatching
Cellular Component
GO:0033650
host cell mitochondrion
GO:0042025
host cell nucleus
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:6evk
,
PDBe:6evk
,
PDBj:6evk
PDBsum
6evk
PubMed
29202182
UniProt
H6QM90
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