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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 291 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 = 19.5 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 247 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 = 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....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 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 = 19.5 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
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 GTP 0.612903 0.961039
8 MGO 0.612903 0.901235
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 5FA 0.5 0.884615
15 AQP 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 9GM 0.490196 0.936709
23 HFD 0.489796 0.841463
24 ATP 0.489583 0.884615
25 HEJ 0.489583 0.884615
26 G5P 0.486486 0.936709
27 GCP 0.480392 0.936709
28 G3A 0.477477 0.936709
29 7DT 0.469388 0.871795
30 G2R 0.46729 0.925
31 ITT 0.463918 0.835443
32 5GP 0.463918 0.948052
33 G 0.463918 0.948052
34 0O2 0.462963 0.948052
35 AJQ 0.462185 0.926829
36 GKE 0.459459 0.925
37 Y9Z 0.459459 0.892857
38 GDC 0.459459 0.925
39 GDD 0.459459 0.925
40 B4P 0.458333 0.860759
41 AP5 0.458333 0.860759
42 GMV 0.456311 0.936709
43 GFB 0.455357 0.949367
44 GDR 0.455357 0.949367
45 GPD 0.452174 0.914634
46 DGT 0.451923 0.888889
47 6CK 0.451327 0.902439
48 BA3 0.447917 0.860759
49 G2P 0.447619 0.925
50 JB2 0.443478 0.949367
51 GKD 0.443478 0.925
52 NGD 0.441667 0.949367
53 8GT 0.441176 0.843373
54 MGT 0.438095 0.837209
55 GPG 0.436364 0.925
56 A4P 0.433333 0.83908
57 CAG 0.432 0.894118
58 GH3 0.429907 0.935897
59 6YZ 0.428571 0.8625
60 ADP 0.428571 0.884615
61 GDX 0.42735 0.936709
62 GP2 0.427184 0.925
63 RGT 0.424779 0.875
64 YGP 0.424779 0.891566
65 IDP 0.421569 0.935065
66 JB3 0.421488 0.9375
67 25L 0.419643 0.873418
68 A2D 0.412371 0.860759
69 TPG 0.412214 0.853933
70 7DD 0.41 0.871795
71 6AD 0.409524 0.855422
72 AGS 0.407767 0.841463
73 SAP 0.407767 0.841463
74 G3D 0.407407 0.948052
75 G2Q 0.405405 0.925
76 ALF 5GP 0.401869 0.879518
77 ANP 0.4 0.8625
78 G4P 0.4 0.948052
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 with APoc: 11
This union binding pocket(no: 1) in the query (biounit: 1l8b.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2OBD 2OB 3.15789
2 5A9A UTP 3.15789
3 4CS9 AMP 3.7037
4 3O84 HTJ 4.21053
5 1SZ0 M6P 4.73684
6 6EOZ 58K 5.26316
7 4LAX FK5 7.89474
8 5FYR INS 8.94737
9 5D9O BGC BGC BGC BGC 9.47368
10 5ML3 DL3 10.7383
11 1FDQ HXA 13.7405
Pocket No.: 2; Query (leader) PDB : 1L8B; Ligand: MGP; Similar sites found with APoc: 24
This union binding pocket(no: 2) in the query (biounit: 1l8b.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4QRH 0O2 None
2 1A4R GNH 1.57895
3 1A4R GDP 1.57895
4 5Z2F NAP 2.10526
5 2TPS TPS 2.10526
6 2ZW5 COA 2.63158
7 3U2U UDP 2.63158
8 3HIW C2X 2.63158
9 1MO9 KPC 3.15789
10 1MO9 FAD 3.15789
11 5UY8 AMZ 3.68421
12 5UY8 8UM 3.68421
13 1GET NAP 4.21053
14 1GET FAD 4.21053
15 5KMS FAD 4.21053
16 1DUB CAA 4.73684
17 2RAB NAD 5.26316
18 5MJI 7O6 5.26316
19 1PJS NAD 5.26316
20 4X7G 3Y8 5.78947
21 5MGD GLC GAL GAL 6.84211
22 4NMC FAD 6.84211
23 5HCV 60R 6.84211
24 2X3F APC 9.47368
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