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 = 146 nM
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 308 families.
1 2V8W Kd = 146 nM 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 266 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 = 146 nM 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 220 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 = 146 nM 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 (2D)
Ligand no: 1; Ligand: MGO; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 MGO 1 1
2 MGP 0.619565 0.901235
3 6G0 0.612903 0.901235
4 QBQ 0.541667 0.851852
5 CZF 0.5 0.873418
6 GTP 0.5 0.864198
7 ATP 0.474227 0.860759
8 HEJ 0.474227 0.860759
9 5FA 0.469388 0.860759
10 AQP 0.469388 0.860759
11 G7M 0.46875 0.888889
12 GTG 0.468468 0.879518
13 JSQ 0.46 0.819277
14 HFD 0.46 0.819277
15 GTA 0.45614 0.879518
16 7DT 0.454545 0.848101
17 ITT 0.44898 0.835443
18 GP3 0.445545 0.843373
19 GDP 0.441176 0.864198
20 B4P 0.428571 0.8375
21 AP5 0.428571 0.8375
22 GSP 0.420561 0.823529
23 BA3 0.418367 0.8375
24 ADP 0.414141 0.860759
25 A2D 0.412371 0.8375
26 G1R 0.411215 0.853659
27 GNH 0.409524 0.853659
28 6AD 0.409524 0.833333
29 IDP 0.407767 0.8625
30 25L 0.40708 0.85
31 6YZ 0.401869 0.839506
32 GAV 0.4 0.833333
33 01G 0.4 0.786517
34 RGT 0.4 0.829268
Similar Ligands (3D)
Ligand no: 1; Ligand: MGO; Similar ligands found: 6
No: Ligand Similarity coefficient
1 MGT 0.9906
2 M7G 0.9132
3 ACP 0.9077
4 ANP 0.8925
5 GNP 0.8726
6 ADP BEF 0.8672
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
APoc FAQ
Feedback