Target Binding Site Detail
Target General Information | Top | ||||
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Target ID | T31186 | Target Info | |||
Target Name | Eukaryotic initiation factor 4E (EIF4E) | ||||
Synonyms | eIF4F 25 kDa subunit; eIF4E; eIF-4F 25 kDa subunit; eIF-4E; Eukaryotic translation initiation factor 4E; EIF4F; EIF4EL1 | ||||
Target Type | Literature-reported Target | ||||
Gene Name | EIF4E | ||||
UniProt ID |
Ligand General Information | Top | ||||
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Ligand Name | 7N-Methyl-8-hydroguanosine-5'-triphosphate | Ligand Info | |||
Canonical SMILES | CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O | ||||
InChI | 1S/C11H20N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1 | ||||
InChIKey | BUJQMJUTTBGELS-KQYNXXCUSA-N | ||||
PubChem Compound ID | 135486126 |
Drug Binding Sites of Target | Top | |||||
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PDB ID: 4TQB The co-complex structure of the translation initiation factor eIF4E with the inhibitor 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G | ||||||
Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [1] |
PDB Sequence |
HYIKHPLQNR
42 WALWFFKNDK52 SKTWQANLRL62 ISKFDTVEDF72 WALYNHIQLS82 SNLMPGCDYS 92 LFKDGIEPMW102 EDEKNKRGGR112 WLITLNKQQR122 RSDLDRFWLE132 TLLCLIGESF 142 DDYSDDVCGA152 VVNVRAKGDK162 IAIWTTECEN172 REAVTHIGRV182 YKERLGLPPK 192 IVIGYQSHAD202 TATKSGSTTK212 NRFVV
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LYS52
4.736
TRP56
2.850
GLN57
4.694
ASP90
4.751
PRO100
4.428
MET101
2.498
TRP102
1.976
GLU103
1.982
ARG112
3.880
VAL153
4.999
ASN155
3.895
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PDB ID: 5ZJZ Stapled-peptides tailored against initiation of translation | ||||||
Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [2] |
PDB Sequence |
EHYIKHPLQN
41 RWALWFFKND51 KSKTWQANLR61 LISKFDTVED71 FWALYNHIQL81 SSNLMPGCDY 91 SLFKDGIEPM101 WEDEKNKRGG111 RWLITLNKQQ121 RRSDLDRFWL131 ETLLCLIGES 141 FDDYSDDVCG151 AVVNVRAKGD161 KIAIWTTECE171 NREAVTHIGR181 VYKERLGLPP 191 KIVIGYQSHA201 DTATKTKNRF215 VV
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PDB ID: 5ZK7 Stapled-peptides tailored against initiation of translation | ||||||
Method | X-ray diffraction | Resolution | 2.12 Å | Mutation | No | [2] |
PDB Sequence |
ANPEHYIKHP
38 LQNRWALWFF48 KWQANLRLIS64 KFDTVEDFWA74 LYNHIQLSSN84 LMPGCDYSLF 94 KDGIEPMWED104 EKNKRGGRWL114 ITLNKQQRRS124 DLDRFWLETL134 LCLIGESFDD 144 YSDDVCGAVV154 NVRAKGDKIA164 IWTTECENRE174 AVTHIGRVYK184 ERLGLPPKIV 194 IGYQSHADTA204 TTKNRFVV
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PDB ID: 5ZK5 Stapled-peptides tailored against initiation of translation | ||||||
Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | Yes | [2] |
PDB Sequence |
PEHYIKHPLQ
40 NRWALWFFKN50 DKSKTWQANL60 RLISKFDTVE70 DFWALYNHIQ80 LSSNLMPGCD 90 YSLFKDGIEP100 MWEDEKNKRG110 GRWLITLNKQ120 QRRSDLDRFW130 LETLLCLIGE 140 SFDDYSDDVC150 GAVVNVRAKG160 DKIAIWTTEC170 ENREAVTHIG180 RVYKERLGLP 190 PKIVIGYQSH200 ADTATTKNRF215 VV
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Click to Show 3D Structure of This Binding Site
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References | Top | ||||
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REF 1 | Structure of the eukaryotic translation initiation factor eIF4E in complex with 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G. Proc Natl Acad Sci U S A. 2014 Aug 5;111(31):E3187-95. | ||||
REF 2 | Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein. Chem Sci. 2019 Jan 7;10(8):2489-2500. |
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