Structure of PDB 2xi7 Chain A Binding Site BS03

Receptor Information
>2xi7 Chain A (length=184) Species: 11577 (La Crosse virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMDYQEYQQFLARINTARDACVAKDIDVDLLMARHDYFGRELCKSLNIEY
RNDVPFIDIILDIRPEVDPLTIDAPHITPDNYLYINNVLYIIDYKVSVSN
ESSVITYDKYYELTRDISDRLSIPIEIVIIRIDPVSRDLHINSDRFKELY
PTIVVDINFNQFFDLKQLLYEKFGDDEEFLLKVA
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 chain2xi7 Chain A Residue 1186 [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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PDB2xi7 Bunyaviridae RNA Polymerases (L-Protein) Have an N-Terminal, Influenza-Like Endonuclease Domain, Essential for Viral CAP-Dependent Transcription.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H34 D52 D79 D92 K94
Binding residue
(residue number reindexed from 1)		H35 D53 D80 D93 K95
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.14,Kd=7.20uM
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.1.-.-
External links
PDB RCSB:2xi7, PDBe:2xi7, PDBj:2xi7
PDBsum2xi7
PubMed20862319
UniProtA5HC98|L_BUNLC RNA-directed RNA polymerase L (Gene Name=L)

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