Structure of PDB 4tqb Chain A Binding Site BS02

Receptor Information
>4tqb Chain A (length=185) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HYIKHPLQNRWALWFFKNDKSKTWQANLRLISKFDTVEDFWALYNHIQLS
SNLMPGCDYSLFKDGIEPMWEDEKNKRGGRWLITLNKQQRRSDLDRFWLE
TLLCLIGESFDDYSDDVCGAVVNVRAKGDKIAIWTTECENREAVTHIGRV
YKERLGLPPKIVIGYQSHADTATKSGSTTKNRFVV
Ligand information
Ligand ID34K
InChIInChI=1S/C18H13BrN4O4S/c19-13-7-5-11(6-8-13)15-10-28-18(20-15)22-21-14(17(24)25)9-12-3-1-2-4-16(12)23(26)27/h1-8,10H,9H2,(H,20,22)(H,24,25)/b21-14+
InChIKeyOHRDQFFRIALSLB-KGENOOAVSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)C(Cc1ccccc1[N](=O)=O)=NNc2scc(n2)c3ccc(Br)cc3
ACDLabs 12.01O=N(=O)c1ccccc1CC(=N/Nc2nc(cs2)c3ccc(Br)cc3)\C(=O)O
OpenEye OEToolkits 1.9.2c1ccc(c(c1)C/C(=N\Nc2nc(cs2)c3ccc(cc3)Br)/C(=O)O)N(=O)=O
OpenEye OEToolkits 1.9.2c1ccc(c(c1)CC(=NNc2nc(cs2)c3ccc(cc3)Br)C(=O)O)N(=O)=O
CACTVS 3.385OC(=O)\C(Cc1ccccc1[N](=O)=O)=N\Nc2scc(n2)c3ccc(Br)cc3
FormulaC18 H13 Br N4 O4 S
Name(2E)-2-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid
ChEMBLCHEMBL3310364
DrugBank
ZINCZINC000098208392
PDB chain4tqb Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4tqb Structure of the eukaryotic translation initiation factor eIF4E in complex with 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G.
Resolution1.59 Å
Binding residue
(original residue number in PDB)		F47 K49 R61 I63
Binding residue
(residue number reindexed from 1)		F15 K17 R29 I31
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:4tqb, PDBe:4tqb, PDBj:4tqb
PDBsum4tqb
PubMed25049413
UniProtP06730|IF4E_HUMAN Eukaryotic translation initiation factor 4E (Gene Name=EIF4E)

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