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Structure of PDB 6u06 Chain A Binding Site BS01

Receptor Information
>6u06 Chain A (length=182) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPEHYIKHPLQNRWALWFFKNDKSKTWQANLRLISKFDTVEDFWALYNHI
QLSSNLMPGCDYSLFKDGIEPMWEDEKNKRGGRWLITLNKQQRRSDLDRF
WLETLLCLIGESFDDYSDDVCGAVVNVRAKGDKIAIWTTECENRDAVTHI
GRVYKERLGLPPKIVIGYQSHADTATKNRFVV
Ligand information
Ligand IDEI8
InChIInChI=1S/C23H16FN3O5S2/c24-33(29,30)20-2-1-3-21(13-20)34(31,32)27(15-17-6-4-16(14-25)5-7-17)19-9-8-18-10-11-26-23(28)22(18)12-19/h1-13H,15H2,(H,26,28)
InChIKeyVDEDGNULGMBOAN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C(#N)c1ccc(cc1)CN(c2cc3c(cc2)C=CNC3=O)S(c4cc(S(=O)(=O)F)ccc4)(=O)=O
OpenEye OEToolkits 2.0.7c1cc(cc(c1)S(=O)(=O)F)S(=O)(=O)N(Cc2ccc(cc2)C#N)c3ccc4c(c3)C(=O)NC=C4
CACTVS 3.385F[S](=O)(=O)c1cccc(c1)[S](=O)(=O)N(Cc2ccc(cc2)C#N)c3ccc4C=CNC(=O)c4c3
FormulaC23 H16 F N3 O5 S2
Name3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride
ChEMBL
DrugBank
ZINC
PDB chain6u06 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6u06 Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking.
Resolution1.96 Å
Binding residue
(original residue number in PDB)		L60 D90 S92 P100 M101 W102 E103 R112 N155 R157 K162
Binding residue
(residue number reindexed from 1)		L31 D61 S63 P71 M72 W73 E74 R83 N126 R128 K133
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003743 translation initiation factor activity
Biological Process
GO:0006413 translational initiation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6u06, PDBe:6u06, PDBj:6u06
PDBsum6u06
PubMed32105459
UniProtP63073|IF4E_MOUSE Eukaryotic translation initiation factor 4E (Gene Name=Eif4e)

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