Structure of PDB 4e5g Chain B Binding Site BS03

Receptor Information
>4e5g Chain B (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 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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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)		Y24 H41 E80 D108 E119 K134
Binding residue
(residue number reindexed from 1)		Y24 H41 E61 D89 E100 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:4e5g, PDBe:4e5g, PDBj:4e5g
PDBsum4e5g
PubMed22876176
UniProtQ5EP34

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