Receptor
PDB id Resolution Class Description Source Keywords
1EJH 2.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE EIF4E/EIF4G PEPTIDE/7-METHYL-GDP MUS MUSCULUS EIF4E/EIF4GII PEPTIDE/7-METHYL-GDP TRANSLATION
Ref.: CAP-DEPENDENT TRANSLATION INITIATION IN EUKARYOTES IS REGULATED BY A MOLECULAR MIMIC OF EIF4G. MOL.CELL V. 3 707 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
M7G A:1001;
B:1002;
C:1003;
D:1004;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
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
1EJH 2.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE EIF4E/EIF4G PEPTIDE/7-METHYL-GDP MUS MUSCULUS EIF4E/EIF4GII PEPTIDE/7-METHYL-GDP TRANSLATION
Ref.: CAP-DEPENDENT TRANSLATION INITIATION IN EUKARYOTES IS REGULATED BY A MOLECULAR MIMIC OF EIF4G. MOL.CELL V. 3 707 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 1EJH - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 5EHC - 5NX C21 H20 Cl N6 O7 c1cc(cc(c1....
2 5EI3 Kd = 56.5 uM 5O8 C18 H20 F3 N6 O6 S c1ccc(cc1)....
3 1EJH - M7G C11 H19 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: M7G; Similar ligands found: 11
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 8GM 0.412371 0.902439
10 8OD 0.411765 0.77907
11 8GD 0.407767 0.872093
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1EJH; Ligand: M7G; Similar sites found: 23
This union binding pocket(no: 1) in the query (biounit: 1ejh.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5IN4 GDP 0.03102 0.44402 2.63158
2 5IN4 NAP 0.03501 0.44203 2.63158
3 5IN4 6CK 0.0408 0.44071 2.63158
4 2WOX NDP 0.03182 0.41078 2.63158
5 1MO9 KPC 0.006971 0.48796 3.15789
6 1GET FAD 0.02296 0.43804 4.21053
7 1GET NAP 0.02389 0.43804 4.21053
8 1XNK XS2 0.007823 0.42091 4.21053
9 2FZH DH1 0.008946 0.4497 4.73684
10 3T7S SAM 0.02452 0.40583 4.73684
11 2RAB NAD 0.01913 0.42501 5.26316
12 1PJS NAD 0.01345 0.41368 5.26316
13 1ND2 MYR 0.02432 0.40476 5.26316
14 1DR1 NAP 0.03106 0.42033 5.29101
15 4FWE FAD 0.02075 0.44556 5.78947
16 1NVT NAP 0.02499 0.40987 5.78947
17 2CDU FAD 0.04444 0.42065 6.31579
18 2X3F APC 0.04781 0.40602 9.47368
19 2WPF WPF 0.006901 0.48168 10.5263
20 1LF9 ACR 0.03618 0.40633 13.1579
21 1VAY AZA 0.0193 0.41041 31.25
22 2VK4 TPP 0.02598 0.40978 31.25
23 3HIW C2X 0.007609 0.43098 37.5
Pocket No.: 2; Query (leader) PDB : 1EJH; Ligand: M7G; Similar sites found: 20
This union binding pocket(no: 2) in the query (biounit: 1ejh.bio4) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2TPS TPS 0.01549 0.41018 2.10526
2 1GPJ CIT 0.01938 0.40536 2.10526
3 2P0D I3P 0.0007376 0.43507 2.32558
4 3N26 ARG 0.02159 0.40078 2.63158
5 1MO9 FAD 0.01271 0.47396 3.15789
6 2Z8G GLC GLC BGC 0.01164 0.4161 3.15789
7 2F5Z FAD 0.04901 0.41246 3.15789
8 2ZFU SAH 0.0321 0.40556 3.15789
9 1FBL HTA 0.03371 0.40143 3.15789
10 3JSX FAD 0.03224 0.41299 4.21053
11 3JSX CC2 0.04834 0.41299 4.21053
12 3ICR FAD 0.023 0.43043 5.26316
13 1YY5 FAD 0.04927 0.41226 5.26316
14 3VPD ANP 0.03937 0.40018 6.31579
15 5L7G 6QE 0.006261 0.43612 6.84211
16 3NT6 FAD 0.03679 0.41187 7.36842
17 3NTD FAD 0.04816 0.40702 7.36842
18 2W9S NDP 0.02019 0.41508 8.07453
19 3IHZ FK5 0.0187 0.42807 11.1111
20 3SQG TP7 0.03073 0.4075 37.5
Pocket No.: 3; Query (leader) PDB : 1EJH; Ligand: M7G; Similar sites found: 14
This union binding pocket(no: 3) in the query (biounit: 1ejh.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4QRH 0O2 0.01587 0.41469 None
2 2YVF FAD 0.04179 0.42743 3.15789
3 3ICT FAD 0.01444 0.44459 5.26316
4 1T90 NAD 0.04782 0.40653 5.78947
5 1QCI ADE 0.01854 0.4007 6.31579
6 2B9W FAD 0.0382 0.4308 6.84211
7 1HFS L04 0.03429 0.41279 7.5
8 3IQE F42 0.04245 0.40452 7.89474
9 4BV6 FAD 0.0362 0.42238 8.94737
10 2WPF FAD 0.00865 0.4765 10.5263
11 1MZC BNE 0.03497 0.42187 12.6316
12 4XIZ LPP 0.02205 0.42244 15.7143
13 3LAD FAD 0.02038 0.43385 15.7895
14 2QUN FUD 0.009665 0.40862 15.7895
Pocket No.: 4; Query (leader) PDB : 1EJH; Ligand: M7G; Similar sites found: 5
This union binding pocket(no: 4) in the query (biounit: 1ejh.bio3) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3S5W FAD 0.02405 0.43064 2.10526
2 1B3X XYP XYP XYP 0.02475 0.4029 2.63158
3 1HXD BTN 0.04839 0.40199 3.15789
4 4TM3 FAD 0.03814 0.4346 4.21053
5 1Y3N BEM MAV 0.03378 0.40881 37.5
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