Receptor
PDB id Resolution Class Description Source Keywords
5J5Y 1.75 Å NON-ENZYME: TRANSCRIPT_TRANSLATE TRANSLATION INITIATION FACTOR 4E IN COMPLEX WITH M2(7,2'O)GP MRNA 5' CAP ANALOG MUS MUSCULUS PROTEIN-LIGAND COMPLEX TRANSLATION INITIATION FACTOR EIF4E2-prime O)GPPCCL2PPG DICHLOROMETHYLENEBISPHOSPHONATE MRNA 5-prime CATRANSLATION
Ref.: MRNA CAP ANALOGUES SUBSTITUTED IN THE TETRAPHOSPHAT WITH CX2: IDENTIFICATION OF O-TO-CCL2 AS THE FIRST MODIFICATION THAT CONFERS RESISTANCE TO DECAPPING W IMPAIRING TRANSLATION. NUCLEIC ACIDS RES. V. 45 8661 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6G6 A:300;
B:301;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.1;
none;
 Ka = 82.8 M^-1
698.131 C13 H21 Cl2 N5 O16 P4 C[n+]...
GOL B:302;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1L8B 1.8 Å NON-ENZYME: TRANSCRIPT_TRANSLATE COCRYSTAL STRUCTURE OF THE MESSENGER RNA 5' CAP-BINDING PROTEIN (EIF4E) BOUND TO 7-METHYLGPPPG MUS MUSCULUS EUKARYOTIC INITIATION FACTOR 4E EIF4E CAP 7-METHYLGPPPG RNA BINDING PROTEIN
Ref.: BIOPHYSICAL STUDIES OF EIF4E CAP-BINDING PROTEIN: RECOGNITION OF MRNA 5' CAP STRUCTURE AND SYNTHETIC FRAGMENTS OF EIF4G AND 4E-BP1 PROTEINS. J.MOL.BIOL. V. 319 615 2002
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 5OSX ic50 = 0.285 uM AKW C21 H30 N10 O16 P3 S2 C[n+]1cn(c....
2 1L8B Kd = 0.14 uM MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
3 5J5Y Ka = 82.8 M^-1 6G6 C13 H21 Cl2 N5 O16 P4 C[n+]1cn(c....
4 4TPW Kd = 20.5 uM 33R C18 H12 Cl2 N4 O4 S c1ccc(c(c1....
5 4TQB - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
6 1EJ1 - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
7 4TQC - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
8 5J5O Ka = 102.8 M^-1 6G0 C11 H20 N5 O17 P4 C[n+]1cn(c....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 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 5OSX ic50 = 0.285 uM AKW C21 H30 N10 O16 P3 S2 C[n+]1cn(c....
4 1L8B Kd = 0.14 uM MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
5 5J5Y Ka = 82.8 M^-1 6G6 C13 H21 Cl2 N5 O16 P4 C[n+]1cn(c....
6 4TPW Kd = 20.5 uM 33R C18 H12 Cl2 N4 O4 S c1ccc(c(c1....
7 4TQB - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
8 1EJ1 - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
9 4TQC - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
10 5J5O Ka = 102.8 M^-1 6G0 C11 H20 N5 O17 P4 C[n+]1cn(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: 6G6; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 6G6 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 6G6; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1L8B; Ligand: MGP; 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: 1l8b.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1L8B; Ligand: MGP; 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: 1l8b.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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