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 (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 1L8B Kd = 0.14 uM MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
2 5J5Y Ka = 82.8 M^-1 6G6 C13 H21 Cl2 N5 O16 P4 C[n+]1cn(c....
3 4TPW Kd = 19.5 uM 33R C18 H12 Cl2 N4 O4 S c1ccc(c(c1....
4 4TQB - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
5 1EJ1 - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
6 4TQC - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
7 5J5O Ka = 102.8 M^-1 6G0 C11 H20 N5 O17 P4 C[n+]1cn(c....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 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 1L8B Kd = 0.14 uM MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
4 5J5Y Ka = 82.8 M^-1 6G6 C13 H21 Cl2 N5 O16 P4 C[n+]1cn(c....
5 4TPW Kd = 19.5 uM 33R C18 H12 Cl2 N4 O4 S c1ccc(c(c1....
6 4TQB - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
7 1EJ1 - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
8 4TQC - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
9 5J5O Ka = 102.8 M^-1 6G0 C11 H20 N5 O17 P4 C[n+]1cn(c....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 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 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 = 19.5 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....
11 2IDV - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6G0; Similar ligands found: 79
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 MGO 0.612903 0.901235
8 GTP 0.612903 0.961039
9 GDP 7MG 0.586538 0.949367
10 GP3 0.569892 0.936709
11 GDP 0.547368 0.961039
12 GSP 0.52 0.91358
13 MGQ 0.509804 0.925
14 AQP 0.5 0.884615
15 5FA 0.5 0.884615
16 MGV 0.495238 0.880952
17 GAV 0.495146 0.925
18 G1R 0.49505 0.948718
19 GNH 0.494949 0.948718
20 01G 0.490741 0.870588
21 GNP 0.490196 0.936709
22 ATP 0.489583 0.884615
23 G5P 0.486486 0.936709
24 GCP 0.480392 0.936709
25 G3A 0.477477 0.936709
26 7DT 0.469388 0.871795
27 G2R 0.46729 0.925
28 G 0.463918 0.948052
29 5GP 0.463918 0.948052
30 ITT 0.463918 0.835443
31 0O2 0.462963 0.948052
32 GDD 0.459459 0.925
33 Y9Z 0.459459 0.892857
34 GKE 0.459459 0.925
35 GDC 0.459459 0.925
36 B4P 0.458333 0.860759
37 AP5 0.458333 0.860759
38 GMV 0.456311 0.936709
39 GFB 0.455357 0.949367
40 GDR 0.455357 0.949367
41 GPD 0.452174 0.914634
42 DGT 0.451923 0.888889
43 6CK 0.451327 0.902439
44 BA3 0.447917 0.860759
45 G2P 0.447619 0.925
46 GKD 0.443478 0.925
47 JB2 0.443478 0.949367
48 NGD 0.441667 0.949367
49 8GT 0.441176 0.843373
50 MGT 0.438095 0.837209
51 GPG 0.436364 0.925
52 A4P 0.433333 0.83908
53 CAG 0.432 0.894118
54 GH3 0.429907 0.935897
55 ADP 0.428571 0.884615
56 GDX 0.42735 0.936709
57 GP2 0.427184 0.925
58 RGT 0.424779 0.875
59 YGP 0.424779 0.891566
60 IDP 0.421569 0.935065
61 JB3 0.421488 0.9375
62 25L 0.419643 0.873418
63 GDP MG 0.419048 0.9125
64 GDP BEF 0.415094 0.890244
65 GCP G 0.412844 0.924051
66 A2D 0.412371 0.860759
67 TPG 0.412214 0.853933
68 7DD 0.41 0.871795
69 6AD 0.409524 0.855422
70 SAP 0.407767 0.841463
71 AGS 0.407767 0.841463
72 G3D 0.407407 0.948052
73 G2Q 0.405405 0.925
74 GTP MG 0.40367 0.9125
75 BEF GDP 0.40367 0.879518
76 ALF 5GP 0.401869 0.879518
77 G4P 0.4 0.948052
78 ANP 0.4 0.8625
79 ACQ 0.4 0.8625
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1L8B; Ligand: MGP; Similar sites found: 1
This union binding pocket(no: 1) in the query (biounit: 1l8b.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1J09 ATP 0.02649 0.40096 4.21053
Pocket No.: 2; Query (leader) PDB : 1L8B; Ligand: MGP; Similar sites found: 4
This union binding pocket(no: 2) in the query (biounit: 1l8b.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4QRH 0O2 0.0131 0.41687 None
2 1GET FAD 0.03075 0.43777 4.21053
3 1GET NAP 0.03208 0.43777 4.21053
4 1PJS NAD 0.02529 0.40389 5.26316
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