Receptor
PDB id Resolution Class Description Source Keywords
2V8W 2.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTALLOGRAPHIC AND MASS SPECTROMETRIC CHARACTERISATION OF EIF4E WITH N7-CAP DERIVATIVES HOMO SAPIENS TRANSLATION PHOSPHORYLATION INITIATION FACTOR CAP EIF4E M7GTP 4E-BP1 RNA-BINDING ACETYLATION HOST-VIRUS INTERACTION PROTEIN SYNTHESIS INHIBITOR PROTEIN BIOSYNTHESIS TRANSLATION REGULATION
Ref.: CRYSTALLOGRAPHIC AND MASS SPECTROMETRIC CHARACTERISATION OF EIF4E WITH N(7)-ALKYLATED CAP DERIVATIVES. J.MOL.BIOL. V. 372 7 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MGO A:1218;
E:1218;
Valid;
Valid;
none;
none;
Kd = 0.146 uM
537.227 C12 H20 N4 O14 P3 C[n+]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2V8W 2.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTALLOGRAPHIC AND MASS SPECTROMETRIC CHARACTERISATION OF EIF4E WITH N7-CAP DERIVATIVES HOMO SAPIENS TRANSLATION PHOSPHORYLATION INITIATION FACTOR CAP EIF4E M7GTP 4E-BP1 RNA-BINDING ACETYLATION HOST-VIRUS INTERACTION PROTEIN SYNTHESIS INHIBITOR PROTEIN BIOSYNTHESIS TRANSLATION REGULATION
Ref.: CRYSTALLOGRAPHIC AND MASS SPECTROMETRIC CHARACTERISATION OF EIF4E WITH N(7)-ALKYLATED CAP DERIVATIVES. J.MOL.BIOL. V. 372 7 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 309 families.
1 2V8W Kd = 0.146 uM MGO C12 H20 N4 O14 P3 C[n+]1cn(c....
2 2V8Y Kd = 1.96 uM MGV C17 H20 F N5 O8 P c1cc(ccc1C....
3 2V8X Kd = 6.95 uM MGQ C17 H21 N5 O8 P c1ccc(cc1)....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 1WKW - GTA C21 H30 N10 O17 P3 C[n+]1cn(c....
2 1EJ4 - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
3 2V8W Kd = 0.146 uM MGO C12 H20 N4 O14 P3 C[n+]1cn(c....
4 2V8Y Kd = 1.96 uM MGV C17 H20 F N5 O8 P c1cc(ccc1C....
5 2V8X Kd = 6.95 uM MGQ C17 H21 N5 O8 P c1ccc(cc1)....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 221 families.
1 1WKW - GTA C21 H30 N10 O17 P3 C[n+]1cn(c....
2 3HXG Kd = 0.27 uM GTA C21 H30 N10 O17 P3 C[n+]1cn(c....
3 1EJ4 - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
4 2V8W Kd = 0.146 uM MGO C12 H20 N4 O14 P3 C[n+]1cn(c....
5 2V8Y Kd = 1.96 uM MGV C17 H20 F N5 O8 P c1cc(ccc1C....
6 2V8X Kd = 6.95 uM MGQ C17 H21 N5 O8 P c1ccc(cc1)....
7 3M94 - M7M C13 H23 N5 O11 P2 CN1CN(C2=C....
8 2JGB Ka = 410000 M^-1 MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MGO; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 MGO 1 1
2 MGP 0.619565 0.901235
3 6G0 0.612903 0.901235
4 GTP 0.5 0.864198
5 HEJ 0.474227 0.860759
6 ATP 0.474227 0.860759
7 5FA 0.469388 0.860759
8 AQP 0.469388 0.860759
9 G7M 0.46875 0.888889
10 GTG 0.468468 0.879518
11 JSQ 0.46 0.819277
12 HFD 0.46 0.819277
13 GTA 0.45614 0.879518
14 7DT 0.454545 0.848101
15 ITT 0.44898 0.835443
16 GP3 0.445545 0.843373
17 GDP 0.441176 0.864198
18 B4P 0.428571 0.8375
19 AP5 0.428571 0.8375
20 GSP 0.420561 0.823529
21 BA3 0.418367 0.8375
22 ADP 0.414141 0.860759
23 A2D 0.412371 0.8375
24 G1R 0.411215 0.853659
25 6AD 0.409524 0.833333
26 GNH 0.409524 0.853659
27 IDP 0.407767 0.8625
28 25L 0.40708 0.85
29 6YZ 0.401869 0.839506
30 RGT 0.4 0.829268
31 GAV 0.4 0.833333
32 01G 0.4 0.786517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2V8W; Ligand: MGO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2v8w.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2V8W; Ligand: MGO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2v8w.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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