Receptor
PDB id Resolution Class Description Source Keywords
2V8Y 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTALLOGRAPHIC AND MASS SPECTROMETRIC CHARACTERISATION OF EIF4E WITH N7-CAP DERIVATIVES HOMO SAPIENS TRANSLATION PHOSPHORYLATION INITIATION FACTOR CAP EIF4E 7BNGMP 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
MGV A:1218;
E:1218;
Valid;
Valid;
none;
none;
Kd = 1.96 uM
472.342 C17 H20 F N5 O8 P c1cc(...
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 257 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 222 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 (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 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 1EJH - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
8 3M94 - M7M C13 H23 N5 O11 P2 CN1CN(C2=C....
9 2JGB Ka = 410000 M^-1 MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MGV; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 MGV 1 1
2 MGQ 0.808989 0.950617
3 G7M 0.608696 0.891566
4 5O8 0.567308 0.8
5 MGP 0.5 0.880952
6 5NX 0.495652 0.818182
7 6G0 0.495238 0.880952
8 5GP 0.49 0.901235
9 G 0.49 0.901235
10 GTA 0.429752 0.904762
11 GTG 0.428571 0.904762
12 MG7 0.427083 0.776471
13 GDP 0.412844 0.890244
14 GDP 7MG 0.409836 0.903614
15 GP3 0.40367 0.914634
16 GTP 0.401786 0.890244
17 GAV 0.4 0.858824
18 GP2 0.4 0.858824
19 AIR 0.4 0.802469
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2V8W; Ligand: MGO; Similar sites found: 10
This union binding pocket(no: 1) in the query (biounit: 2v8w.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1H2B NAJ 0.04803 0.40286 1.84332
2 1FKB RAP 0.02955 0.411 2.80374
3 3O84 HTJ 0.01684 0.41886 3.68664
4 1MO9 KPC 0.03965 0.43615 5.52995
5 4LAY I63 0.01069 0.40359 6.91244
6 1F76 FMN 0.02948 0.40602 8.29493
7 3MJY FMN 0.04579 0.40294 9.21659
8 3MJY IJZ 0.04579 0.40294 9.21659
9 2QUN FUD 0.01514 0.40789 42.8571
10 3C2O NTM 0.032 0.40545 42.8571
Pocket No.: 2; Query (leader) PDB : 2V8W; Ligand: MGO; Similar sites found: 1
This union binding pocket(no: 2) in the query (biounit: 2v8w.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Z3U CRR 0.04664 0.40029 4.14747
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