Receptor
PDB id Resolution Class Description Source Keywords
5J5O 1.87 Å NON-ENZYME: TRANSCRIPT_TRANSLATE TRANSLATION INITIATION FACTOR 4E IN COMPLEX WITH M7GPPPPG MR ANALOG MUS MUSCULUS PROTEIN-LIGAND COMPLEX TRANSLATION INITIATION FACTOR EIF4EM7GPPPPG MRNA 5-prime CAP ANALOG TRANSLATION
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
GOL B:302;
A:302;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
6G0 A:301;
C:300;
D:300;
B:301;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Ka = 102.8 M^-1
618.195 C11 H20 N5 O17 P4 C[n+]...
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: 6G0; Similar ligands found: 83
No: Ligand ECFP6 Tc MDL keys Tc
1 6G0 1 1
2 MGP 0.986667 1
3 G7M 0.78481 0.987013
4 GTG 0.752688 0.974684
5 GTA 0.729167 0.974684
6 MG7 0.64557 0.884615
7 QBQ 0.644444 0.948052
8 MGO 0.612903 0.901235
9 GTP 0.612903 0.961039
10 GDP 7MG 0.586538 0.949367
11 GP3 0.569892 0.936709
12 GDP 0.547368 0.961039
13 GSP 0.52 0.91358
14 MGQ 0.509804 0.925
15 AQP 0.5 0.884615
16 CZF 0.5 0.897436
17 5FA 0.5 0.884615
18 MGV 0.495238 0.880952
19 GAV 0.495146 0.925
20 G1R 0.49505 0.948718
21 GNH 0.494949 0.948718
22 01G 0.490741 0.870588
23 GNP 0.490196 0.936709
24 9GM 0.490196 0.936709
25 HFD 0.489796 0.841463
26 JSQ 0.489796 0.841463
27 HEJ 0.489583 0.884615
28 ATP 0.489583 0.884615
29 G5P 0.486486 0.936709
30 GCP 0.480392 0.936709
31 G3A 0.477477 0.936709
32 7DT 0.469388 0.871795
33 G2R 0.46729 0.925
34 ITT 0.463918 0.835443
35 5GP 0.463918 0.948052
36 G 0.463918 0.948052
37 0O2 0.462963 0.948052
38 AJQ 0.462185 0.926829
39 Y9Z 0.459459 0.892857
40 GDD 0.459459 0.925
41 GKE 0.459459 0.925
42 GDC 0.459459 0.925
43 B4P 0.458333 0.860759
44 AP5 0.458333 0.860759
45 GMV 0.456311 0.936709
46 GDR 0.455357 0.949367
47 GFB 0.455357 0.949367
48 GPD 0.452174 0.914634
49 DGT 0.451923 0.888889
50 6CK 0.451327 0.902439
51 BA3 0.447917 0.860759
52 G2P 0.447619 0.925
53 GKD 0.443478 0.925
54 JB2 0.443478 0.949367
55 NGD 0.441667 0.949367
56 8GT 0.441176 0.843373
57 MGT 0.438095 0.837209
58 GPG 0.436364 0.925
59 A4P 0.433333 0.83908
60 CAG 0.432 0.894118
61 GH3 0.429907 0.935897
62 ADP 0.428571 0.884615
63 6YZ 0.428571 0.8625
64 GDX 0.42735 0.936709
65 GP2 0.427184 0.925
66 RGT 0.424779 0.875
67 YGP 0.424779 0.891566
68 IDP 0.421569 0.935065
69 JB3 0.421488 0.9375
70 25L 0.419643 0.873418
71 A2D 0.412371 0.860759
72 TPG 0.412214 0.853933
73 GDP BEF 0.411215 0.924051
74 7DD 0.41 0.871795
75 6AD 0.409524 0.855422
76 AGS 0.407767 0.841463
77 G3D 0.407407 0.948052
78 GTP MG 0.407407 0.948052
79 G2Q 0.405405 0.925
80 ALF 5GP 0.401869 0.879518
81 ACQ 0.4 0.8625
82 ANP 0.4 0.8625
83 G4P 0.4 0.948052
Similar Ligands (3D)
Ligand no: 1; Ligand: 6G0; 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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