Receptor
PDB id Resolution Class Description Source Keywords
2IDV 2.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF WHEAT C113S MUTANT EIF4E BOUND TO 7-MET TRITICUM AESTIVUM EUKARYOTIC INITIATION FACTOR 4E EIF4E CAP METHYL-7-GDP TRANSLATION REGULATOR
Ref.: THE STRUCTURE OF EUKARYOTIC TRANSLATION INITIATION FROM WHEAT REVEALS A NOVEL DISULFIDE BOND. PLANT PHYSIOL. V. 143 1504 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
M7G A:1000;
 Valid;
 none;
 submit data
459.243 C11 H19 N5 O11 P2 CN1CN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2IDV 2.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF WHEAT C113S MUTANT EIF4E BOUND TO 7-MET TRITICUM AESTIVUM EUKARYOTIC INITIATION FACTOR 4E EIF4E CAP METHYL-7-GDP TRANSLATION REGULATOR
Ref.: THE STRUCTURE OF EUKARYOTIC TRANSLATION INITIATION FROM WHEAT REVEALS A NOVEL DISULFIDE BOND. PLANT PHYSIOL. V. 143 1504 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 2IDV - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 2WMC - MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
2 2IDV - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 1IPB - GTA C21 H30 N10 O17 P3 C[n+]1cn(c....
2 1IPC - MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
3 2WMC - MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
4 5OSX ic50 = 0.285 uM AKW C21 H30 N10 O16 P3 S2 C[n+]1cn(c....
5 1L8B Kd = 0.14 uM MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
6 5J5Y Ka = 82.8 M^-1 6G6 C13 H21 Cl2 N5 O16 P4 C[n+]1cn(c....
7 4TPW Kd = 20.5 uM 33R C18 H12 Cl2 N4 O4 S c1ccc(c(c1....
8 4TQB - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
9 1EJ1 - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
10 4TQC - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
11 5J5O Ka = 102.8 M^-1 6G0 C11 H20 N5 O17 P4 C[n+]1cn(c....
12 2IDV - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: M7G; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 M7G 1 1
2 MGT 0.910256 1
3 M7M 0.541667 0.963855
4 G8D 0.537634 0.914634
5 TPG 0.525 0.920455
6 8GT 0.494845 0.914634
7 CDP 0.43617 0.829268
8 UDP 0.430108 0.780488
9 M7G A2M G 0.42953 0.88764
10 8GM 0.412371 0.902439
11 8OD 0.411765 0.77907
12 8GD 0.407767 0.872093
Similar Ligands (3D)
Ligand no: 1; Ligand: M7G; Similar ligands found: 55
No: Ligand Similarity coefficient
1 ADP 0.9527
2 GDP 0.9411
3 ADP MG 0.9264
4 7DD 0.9218
5 DAT 0.9211
6 MGO 0.9132
7 DGI 0.9119
8 AP2 0.9114
9 KG4 0.9110
10 GDP BEF 0.9094
11 GDP MG 0.9094
12 MGP 0.9078
13 AN2 0.9051
14 TYD 0.9023
15 A12 0.9022
16 GP2 0.9019
17 M33 0.8967
18 ADX 0.8959
19 G7M 0.8950
20 IDP 0.8945
21 O02 0.8923
22 CA0 0.8922
23 GNH 0.8921
24 CUU 0.8884
25 G 0.8859
26 5GP 0.8859
27 PRX 0.8856
28 KB7 0.8844
29 XMP 0.8832
30 SAH 0.8830
31 GAP 0.8824
32 WSA 0.8810
33 A5A 0.8810
34 ATP 0.8804
35 GJV 0.8789
36 ANP 0.8756
37 SAM 0.8755
38 9ZD 0.8740
39 IMU 0.8738
40 AMP 0.8735
41 5AS 0.8718
42 IMP 0.8716
43 7D3 0.8710
44 2A5 0.8698
45 DGP 0.8681
46 ADP AF3 0.8679
47 AU1 0.8668
48 DG 0.8667
49 GPX 0.8658
50 6CG 0.8638
51 6AD 0.8632
52 EEM 0.8588
53 AGS 0.8576
54 8DG 0.8565
55 ACP 0.8562
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2IDV; Ligand: M7G; 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: 2idv.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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