Structure of PDB 4e5i Chain B Binding Site BS03

Receptor Information
>4e5i Chain B (length=180) Species: 284218 (Influenza A virus (A/Viet Nam/1203/2004(H5N1))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVCFMYSD
GGSKHRFEIIEGRDRTMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFIE
IGVTRREVHTYYLEKANKIKSEETHIHIFSFTGEEMATKADYTLDEESRA
RIKTRLFTIRQEMASRGLWDSFRQSERAAA
Ligand information
Ligand ID0N9
InChIInChI=1S/C9H8N4O4/c1-13-2-4(10-3-13)7-11-5(9(16)17)6(14)8(15)12-7/h2-3,14H,1H3,(H,16,17)(H,11,12,15)
InChIKeyOIINGOWTGWVZNY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C=1N=C(NC(=O)C=1O)c2ncn(c2)C
OpenEye OEToolkits 1.7.6Cn1cc(nc1)C2=NC(=C(C(=O)N2)O)C(=O)O
CACTVS 3.370Cn1cnc(c1)C2=NC(=C(O)C(=O)N2)C(O)=O
FormulaC9 H8 N4 O4
Name5-hydroxy-2-(1-methyl-1H-imidazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
ChEMBLCHEMBL2040563
DrugBank
ZINCZINC000084704408
PDB chain4e5i Chain B Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4e5i Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease.
Resolution2.944 Å
Binding residue
(original residue number in PDB)		H41 K134
Binding residue
(residue number reindexed from 1)		H41 K115
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Biological Process
GO:0039694 viral RNA genome replication

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Molecular Function
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Biological Process
External links
PDB RCSB:4e5i, PDBe:4e5i, PDBj:4e5i
PDBsum4e5i
PubMed22876176
UniProtQ5EP34

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