Structure of PDB 5eif Chain A Binding Site BS02

Receptor Information
>5eif Chain A (length=256) Species: 408870 (Dengue virus 3 Philippines/H87/1956) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETLGEKWKKKLNQLSRKEFDLYKKSGITEVDRTEAKEGLKRGETTHHAVS
RGSAKLQWFVERNMVIPEGRVIDLGCGRGGWSYYCAGLKKVTEVRGYTKG
GPGHEEPVPMSTYGWNIVKLMSGKDVFYLPPEKCDTLLCDIGESSPSPTV
EESRTIRVLKMVEPWLKNNQFCIKVLNPYMPTVIEHLERLQRKHGGMLVR
NPLSRNSTHEMYWISNGTGNIVSSVNMVSRLLLNRFTMTHRRPTIEKDVD
LGAGTR
Ligand information
Ligand ID4M0
InChIInChI=1S/C8H9NO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)
InChIKeyRPGKFFKUTVJVPY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1ccc(c(N)c1)C(O)=O
ACDLabs 12.01O=C(O)c1ccc(cc1N)C
OpenEye OEToolkits 1.9.2Cc1ccc(c(c1)N)C(=O)O
FormulaC8 H9 N O2
Name2-azanyl-4-methyl-benzoic acid;
4-methylanthranilate
ChEMBLCHEMBL3934153
DrugBank
ZINCZINC000000167235
PDB chain5eif Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5eif ?
Resolution1.5 Å
Binding residue
(original residue number in PDB)		G107 S128 G129
Binding residue
(residue number reindexed from 1)		G101 S122 G123
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=2.55,IC50=2.8mM
Enzymatic activity
Enzyme Commision number 2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
2.1.1.57: methyltransferase cap1.
2.7.7.48: RNA-directed RNA polymerase.
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

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Molecular Function
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Biological Process
External links
PDB RCSB:5eif, PDBe:5eif, PDBj:5eif
PDBsum5eif
PubMed27750202
UniProtP27915|POLG_DEN3P Genome polyprotein

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