Structure of PDB 5ekv Chain A Binding Site BS02

Receptor Information
>5ekv Chain A (length=182) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEHYIKHPLQNRWALWFFKNDKSKTWQANLRLISKFDTVEDFWALYNHIQ
LSSNLMPGCDYSLFKDGIEPMWEDEKNKRGGRWLITLNKQQRRSDLDRFW
LETLLCLIGESFDDYSDDVCGAVVNVRAKGDKIAIWTTECENREAVTHIG
RVYKERLGLPPKIVIGYQSHADTATTKNRFVV
Ligand information
Ligand ID5PQ
InChIInChI=1S/C15H16N6O7/c1-20-3-21(12-6(20)13(27)19-15(16)18-12)14-11(26)7(22)4(28-14)2-17-5-8(23)10(25)9(5)24/h3-4,7,11,14,22,26H,2H2,1H3,(H4-,16,17,18,19,23,24,25,27)/p+1/t4-,7-,11-,14-/m1/s1
InChIKeyWRZJZJPEHQGNLE-CZCBHZRKSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)CNC4=C(C(=O)C4=O)O)O)O
CACTVS 3.385C[n+]1cn([CH]2O[CH](CNC3=C(O)C(=O)C3=O)[CH](O)[CH]2O)c4N=C(N)NC(=O)c14
OpenEye OEToolkits 2.0.4C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CNC4=C(C(=O)C4=O)O)O)O
CACTVS 3.385C[n+]1cn([C@@H]2O[C@H](CNC3=C(O)C(=O)C3=O)[C@@H](O)[C@H]2O)c4N=C(N)NC(=O)c14
FormulaC15 H17 N6 O7
Name3-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione
ChEMBLCHEMBL5269259
DrugBank
ZINCZINC000584904988
PDB chain5ekv 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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PDB5ekv Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.
Resolution3.61 Å
Binding residue
(original residue number in PDB)		W56 M101 W102 E103
Binding residue
(residue number reindexed from 1)		W26 M71 W72 E73
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000339 RNA cap binding
GO:0000340 RNA 7-methylguanosine cap binding
GO:0003723 RNA binding
GO:0003743 translation initiation factor activity
GO:0005515 protein binding
GO:0019899 enzyme binding
GO:0031370 eukaryotic initiation factor 4G binding
GO:0098808 mRNA cap binding
GO:0140297 DNA-binding transcription factor binding
Biological Process
GO:0000082 G1/S transition of mitotic cell cycle
GO:0001662 behavioral fear response
GO:0006406 mRNA export from nucleus
GO:0006412 translation
GO:0006413 translational initiation
GO:0006417 regulation of translation
GO:0010507 negative regulation of autophagy
GO:0017148 negative regulation of translation
GO:0019827 stem cell population maintenance
GO:0030182 neuron differentiation
GO:0045665 negative regulation of neuron differentiation
GO:0045931 positive regulation of mitotic cell cycle
GO:0051028 mRNA transport
GO:0051168 nuclear export
GO:0071549 cellular response to dexamethasone stimulus
GO:0099578 regulation of translation at postsynapse, modulating synaptic transmission
Cellular Component
GO:0000932 P-body
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0010494 cytoplasmic stress granule
GO:0016281 eukaryotic translation initiation factor 4F complex
GO:0016442 RISC complex
GO:0016604 nuclear body
GO:0016607 nuclear speck
GO:0033391 chromatoid body
GO:0036464 cytoplasmic ribonucleoprotein granule
GO:0048471 perinuclear region of cytoplasm
GO:0070062 extracellular exosome
GO:0098794 postsynapse
GO:0098978 glutamatergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ekv, PDBe:5ekv, PDBj:5ekv
PDBsum5ekv
PubMed27592390
UniProtP06730|IF4E_HUMAN Eukaryotic translation initiation factor 4E (Gene Name=EIF4E)

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