Structure of PDB 5ieq Chain A Binding Site BS01

Receptor Information
>5ieq Chain A (length=408) Species: 381518 (Influenza A virus (A/Wilson-Smith/1933(H1N1))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRPLRLPDGPPCSQRSKFLLMDALKLSIEDPSHEGEGIPLYDAIKCMRTF
FGWKEPNVVKPHEKGINPNYLLSWKQVLAELQDIENEEKIPRTKNMKKTS
QLKWALGEELRSLASWIQNEFNKACELTDSSWIELDEIGEDAAPIEHIAS
MRRNYFTAEVSHCRATEYIMKGVYINTALLNASCAAMDDFQLIPMISKCR
TKEGRRKTNLYGFIIKGRSHLRNDTDVVNFVSMEFSLTDPRLEPHKWEKY
CVLEVGDMLLRSAIGHVSRPMFLYVRTNGTSKIKMKWGMEMRRCLLQSLQ
QIESMIEAESSVKEKDMTKEFFENKSPKGVEEGSIGKVCRTLLAKSVFNS
LYASPQLEGFSAESRKLLLIVQALRDNLGGLYEAIEECLINDPWVLLNAS
WFNSFLTH
Ligand information
Ligand ID1CI
InChIInChI=1S/C9H7ClN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
InChIKeyBARLRKAYTDVUIS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		Clc1ccc(cc1)n2ccnc2
OpenEye OEToolkits 1.5.0c1cc(ccc1n2ccnc2)Cl
FormulaC9 H7 Cl N2
Name1-(4-CHLOROPHENYL)-1H-IMIDAZOLE
ChEMBLCHEMBL1229718
DrugBank
ZINCZINC000000156200
PDB chain5ieq Chain A Residue 801 [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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PDB5ieq Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase PA
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R312 W317 L342 Q346
Binding residue
(residue number reindexed from 1)		R48 W53 L78 Q82
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:5ieq, PDBe:5ieq, PDBj:5ieq
PDBsum5ieq
PubMed
UniProtP15659|PA_I33A0 Polymerase acidic protein (Gene Name=PA)

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