Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| 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 | ||||
|---|---|---|---|---|---|
| Ligand Name | [[(2R,3S,4R,5R)-5-(6-Amino-3-methyl-4-oxo-5H-imidazo[4,5-C]pyridin-1-YL)-3,4-dihydroxy-oxolan-2-YL]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate | Ligand Info | |||
| Canonical SMILES | C[N+]1=CN(C2=C1C(=O)NC(=C2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O | ||||
| InChI | 1S/C12H19N4O14P3/c1-15-4-16(5-2-7(13)14-11(19)8(5)15)12-10(18)9(17)6(28-12)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h2,4,6,9-10,12,17-18H,3H2,1H3,(H6-,13,14,19,20,21,22,23,24,25,26)/p+1/t6-,9-,10-,12-/m1/s1 | ||||
| InChIKey | LPHBJZOLBGBNJF-XYHAGOFUSA-O | ||||
| PubChem Compound ID | 16750126 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7D6Y eIF4E in Complex with a Disulphide-Free Autonomous VH Domain | ||||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [1] |
| PDB Sequence |
EHYIKHPLQN
41 RWALWFFKND51 KSKTWQANLR61 LISKFDTVED71 FWALYNHIQL81 SSNLMPGCDY 91 SLFKDGIEPM101 WEDEKNKRGG111 RWLITLNKQQ121 RRSDLDRFWL131 ETLLCLIGES 141 FDDYSDDVCG151 AVVNVRAKGD161 KIAIWTTECE171 NREAVTHIGR181 VYKERLGLPP 191 KIVIGYQSHA201 DTATNRFVV
|
|||||
|
|
||||||
| PDB ID: 7XTP eIF4E in Complex with a Disulphide-Free Autonomous VH Domain | ||||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [2] |
| PDB Sequence |
HYIKHPLQNR
42 WALWFFKNDK52 SKTWQANLRL62 ISKFDTVEDF72 WALYNHIQLS82 SNLMPGCDYS 92 LFKDGIEPMW102 EDEKNKRGGR112 WLITLNKQQR122 RSDLDRFWLE132 TLLCLIGESF 142 DDYSDDVCGA152 VVNVRAKGDK162 IAIWTTECEN172 REAVTHIGRV182 YKERLGLPPK 192 IVIGYQSHAD202 TAT
|
|||||
|
|
||||||
| PDB ID: 4AZA Improved eIF4E binding peptides by phage display guided design. | ||||||
| Method | X-ray diffraction | Resolution | 2.16 Å | Mutation | No | [3] |
| PDB Sequence |
EVANPEHYIK
36 HPLQNRWALW46 FFKNDKSKTW56 QANLRLISKF66 DTVEDFWALY76 NHIQLSSNLM 86 PGCDYSLFKD96 GIEPMWEDEK106 NKRGGRWLIT116 LNKQQRRSDL126 DRFWLETLLC 136 LIGESFDDYS146 DDVCGAVVNV156 RAKGDKIAIW166 TTECENREAV176 THIGRVYKER 186 LGLPPKIVIG196 YQSHADTATK206 SGKNRFVV
|
|||||
|
|
||||||
| PDB ID: 2W97 Crystal Structure of eIF4E Bound to Glycerol and eIF4G1 peptide | ||||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | No | [4] |
| PDB Sequence |
> Chain A
PEHYIKHPLQ 40 NRWALWFFKN50 DKSKTWQANL60 RLISKFDTVE70 DFWALYNHIQ80 LSSNLMPGCD 90 YSLFKDGIEP100 MWEDEKNKRG110 GRWLITLNKQ120 QRRSDLDRFW130 LETLLCLIGE 140 SFDDYSDDVC150 GAVVNVRAKG160 DKIAIWTTEC170 ENREAVTHIG180 RVYKERLGLP 190 PKIVIGYQSH200 ADTATKSGST210 TKNRFVV> Chain B NPEHYIKHPL 39 QNRWALWFFK49 KNLRLISKFD67 TVEDFWALYN77 HIQLSSNLMP87 GCDYSLFKDG 97 IEPMWEDEKN107 KRGGRWLITL117 NKQQRRSDLD127 RFWLETLLCL137 IGESFDDYSD 147 DVCGAVVNVR157 AKGDKIAIWT167 TECENREAVT177 HIGRVYKERL187 GLPPKIVIGY 197 QSHADTATKT210 TKNRFVV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MGO or .MGO2 or .MGO3 or :3MGO;style chemicals stick;color identity;select .A:56 or .A:57 or .A:90 or .A:100 or .A:101 or .A:102 or .A:103 or .A:112 or .A:155 or .A:157 or .A:162 or .A:166 or .A:206 or .A:207 or .A:208 or .A:209 or .B:102 or .B:103 or .B:105; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TRP56[A]
3.146
GLN57[A]
4.594
ASP90[A]
4.464
PRO100[A]
4.395
MET101[A]
3.107
TRP102[A]
2.756
GLU103[A]
2.496
ARG112[A]
4.425
ASN155[A]
4.033
ARG157[A]
2.685
|
|||||
| PDB ID: 2V8W Crystallographic and mass spectrometric characterisation of eIF4E with N7-cap derivatives | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [5] |
| PDB Sequence |
EHYIKHPLQN
41 RWALWFFKND51 KSKTWQANLR61 LISKFDTVED71 FWALYNHIQL81 SSNLMPGCDY 91 SLFKDGIEPM101 WEDEKNKRGG111 RWLITLNKQQ121 RRSDLDRFWL131 ETLLCLIGES 141 FDDYSDDVCG151 AVVNVRAKGD161 KIAIWTTECE171 NREAVTHIGR181 VYKERLGLPP 191 KIVIGYQSHA201 DTATTKNRFV216 V
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MGO or .MGO2 or .MGO3 or :3MGO;style chemicals stick;color identity;select .A:56 or .A:90 or .A:100 or .A:101 or .A:102 or .A:103 or .A:112 or .A:155 or .A:157 or .A:159 or .A:162 or .A:166; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Engineering Disulphide-Free Autonomous Antibody VH Domains to modulate intracellular pathways | ||||
| REF 2 | Engineering Disulphide-Free Autonomous Antibody VH Domains to modulate intracellular pathways | ||||
| REF 3 | Improved eIF4E binding peptides by phage display guided design: plasticity of interacting surfaces yield collective effects. PLoS One. 2012;7(10):e47235. | ||||
| REF 4 | Crystallization of eIF4E complexed with eIF4GI peptide and glycerol reveals distinct structural differences around the cap-binding site. Cell Cycle. 2009 Jun 15;8(12):1905-11. | ||||
| REF 5 | Crystallographic and mass spectrometric characterisation of eIF4E with N7-alkylated cap derivatives. J Mol Biol. 2007 Sep 7;372(1):7-15. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.