Receptor
PDB id Resolution Class Description Source Keywords
3M94 2.05 Å NON-ENZYME: TRANSCRIPT_TRANSLATE COMPLEX CRYSTAL STRUCTURE OF ASCARIS SUUM EIF4E-3 WITH M2,2, TRANSLATION INITIATION FACTOR 4E ASCARIS SUUM
Ref.: STRUCTURAL BASIS FOR NEMATODE EIF4E BINDING AN M2,2 AND ITS IMPLICATIONS FOR TRANSLATION INITIATION. NUCLEIC ACIDS RES. V. 39 8820 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACE C:0;
Invalid;
none;
submit data
44.053 C2 H4 O CC=O
M7M A:1;
Valid;
none;
submit data
487.296 C13 H23 N5 O11 P2 CN1CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3M94 2.05 Å NON-ENZYME: TRANSCRIPT_TRANSLATE COMPLEX CRYSTAL STRUCTURE OF ASCARIS SUUM EIF4E-3 WITH M2,2, TRANSLATION INITIATION FACTOR 4E ASCARIS SUUM
Ref.: STRUCTURAL BASIS FOR NEMATODE EIF4E BINDING AN M2,2 AND ITS IMPLICATIONS FOR TRANSLATION INITIATION. NUCLEIC ACIDS RES. V. 39 8820 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 3M94 - M7M C13 H23 N5 O11 P2 CN1CN(C2=C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 3M94 - M7M C13 H23 N5 O11 P2 CN1CN(C2=C....
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: M7M; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 M7M 1 1
2 M7G 0.541667 0.963855
3 MGT 0.49505 0.963855
4 CDP 0.412371 0.797619
5 UDP 0.40625 0.771084
6 TPG 0.401515 0.931818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3M94; Ligand: M7M; Similar sites found: 10
This union binding pocket(no: 1) in the query (biounit: 3m94.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1F76 FMN 0.0109 0.42059 2.1164
2 4NPL AKG 0.009414 0.40843 2.1164
3 3AMN CBK 0.01907 0.42107 3.1746
4 4DA6 GA2 0.02056 0.40481 6.87831
5 1YVM TMG 0.03178 0.40098 6.87831
6 1Y52 BTN 0.04757 0.41051 7.14286
7 5EOB 5QQ 0.004426 0.48241 7.40741
8 2FB3 GTP 0.01289 0.42145 7.93651
9 1GP6 QUE 0.01687 0.41362 8.46561
10 1GP6 SIN 0.01599 0.41362 8.46561
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