Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
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
IF4E_HUMAN
Ligand General Information  Top
Ligand Name 7-Methyl-Gpppa Ligand Info
Canonical SMILES CN1C=[N+](C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O
InChI 1S/C21H29N10O17P3/c1-29-6-31(17-10(29)18(36)28-21(23)27-17)20-14(35)12(33)8(46-20)3-44-50(39,40)48-51(41,42)47-49(37,38)43-2-7-11(32)13(34)19(45-7)30-5-26-9-15(22)24-4-25-16(9)30/h4-8,11-14,19-20,32-35H,2-3H2,1H3,(H7-,22,23,24,25,27,28,36,37,38,39,40,41,42)/p+1/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKey QQOHNVHGNZYSBP-XPWFQUROSA-O
PubChem Compound ID 135415790
Drug Binding Sites of Target  Top
PDB ID: 1IPB      CRYSTAL STRUCTURE OF EUKARYOTIC INITIATION FACTOR 4E COMPLEXED WITH 7-METHYL GPPPA
Method X-ray diffraction Resolution 2.00 Å Mutation No [1]
PDB Sequence
EVANPEHYIK
36
HPLQNRWALW
46
FFKNDKSKTW
56
QANLRLISKF
66
DTVEDFWALY
76

NHIQLSSNLM
86
PGCDYSLFKD
96
GIEPMWEDEK
106
NKRGGRWLIT
116
LNKQQRRSDL
126

DRFWLETLLC
136
LIGESFDDYS
146
DDVCGAVVNV
156
RAKGDKIAIW
166
TTECENREAV
176

THIGRVYKER
186
LGLPPKIVIG
196
YQSHADTATK
206
SGSTTKNRFV
216
V
Residue
Distance (Å)
TRP56
3.516
GLN57
3.106
ASP90
4.527
PRO100
4.311
MET101
3.064
TRP102
2.739
GLU103
2.827
ARG112
4.737
ASN155
4.294
ARG157
2.763
LYS162
2.860
Residue
Distance (Å)
TRP166
4.042
THR203
3.799
ALA204
3.335
THR205
3.020
LYS206
3.313
SER207
3.169
GLY208
4.472
SER209
4.380
THR210
4.838
THR211
4.753
PDB ID: 1WKW      Crystal structure of the ternary complex of eIF4E-m7GpppA-4EBP1 peptide
Method X-ray diffraction Resolution 2.10 Å Mutation No [2]
PDB Sequence
EVANPEHYIK
36
HPLQNRWALW
46
FFKNDKSKTW
56
QANLRLISKF
66
DTVEDFWALY
76

NHIQLSSNLM
86
PGCDYSLFKD
96
GIEPMWEDEK
106
NKRGGRWLIT
116
LNKQQRRSDL
126

DRFWLETLLC
136
LIGESFDDYS
146
DDVCGAVVNV
156
RAKGDKIAIW
166
TTECENREAV
176

THIGRVYKER
186
LGLPPKIVIG
196
YQSHADTATK
206
SGSTTKNRFV
216
V
Residue
Distance (Å)
TRP56
3.480
ASP90
4.184
PRO100
4.193
MET101
3.070
TRP102
2.869
GLU103
2.603
ARG112
4.846
ASN155
4.210
ARG157
2.750
LYS159
3.714
Residue
Distance (Å)
LYS162
3.109
TRP166
4.007
THR203
4.353
ALA204
3.395
THR205
2.891
LYS206
2.926
SER207
3.298
GLY208
3.354
SER209
4.290
THR211
3.619
References  Top
REF 1 Crystal structures of 7-methylguanosine 5'-triphosphate (m(7)GTP)- and P(1)-7-methylguanosine-P(3)-adenosine-5',5'-triphosphate (m(7)GpppA)-bound human full-length eukaryotic initiation factor 4E: biological importance of the C-terminal flexible region. Biochem J. 2002 Mar 15;362(Pt 3):539-44.
REF 2 Structural basis for mRNA Cap-Binding regulation of eukaryotic initiation factor 4E by 4E-binding protein, studied by spectroscopic, X-ray crystal structural, and molecular dynamics simulation methods. Biochim Biophys Acta. 2005 Dec 1;1753(2):191-208.

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