Structure of PDB 4e5g Chain A Binding Site BS04

Receptor Information
>4e5g Chain A (length=181) 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
RIKTRLFTIRQEMASRGLWDSFRQSERAAAE
Ligand information
Ligand IDXI7
InChIInChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChIKeyJGKFWCXVYCDKDU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(c1ccccc1)CC(=O)C(=O)O
CACTVS 3.352OC(=O)C(=O)CC(=O)c1ccccc1
OpenEye OEToolkits 1.6.1c1ccc(cc1)C(=O)CC(=O)C(=O)O
FormulaC10 H8 O4
Name2-4-DIOXO-4-PHENYLBUTANOIC ACID
ChEMBLCHEMBL19332
DrugBank
ZINCZINC000012375863
PDB chain4e5g Chain A Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4e5g Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease.
Resolution2.647 Å
Binding residue
(original residue number in PDB)		A20 Y24 I38 H41
Binding residue
(residue number reindexed from 1)		A20 Y24 I38 H41
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.67,IC50=21.3uM
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:4e5g, PDBe:4e5g, PDBj:4e5g
PDBsum4e5g
PubMed22876176
UniProtQ5EP34

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