Receptor
PDB id Resolution Class Description Source Keywords
5T46 1.53 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE HUMAN EIF4E-EIF4G COMPLEX HOMO SAPIENS TRANSLATION GENE REGULATION CAP BINDING PROTEIN 4E-BINDINPROTEIN TRANSLATION INITIATION EIF4F
Ref.: THE STRUCTURES OF EIF4E-EIF4G COMPLEXES REVEAL AN E INTERFACE TO REGULATE TRANSLATION INITIATION. MOL.CELL V. 64 467 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL C:304;
C:305;
C:303;
C:306;
C:302;
A:303;
A:302;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MGP C:301;
A:301;
Valid;
Valid;
none;
none;
submit data
538.215 C11 H19 N5 O14 P3 C[n+]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5T46 1.53 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE HUMAN EIF4E-EIF4G COMPLEX HOMO SAPIENS TRANSLATION GENE REGULATION CAP BINDING PROTEIN 4E-BINDINPROTEIN TRANSLATION INITIATION EIF4F
Ref.: THE STRUCTURES OF EIF4E-EIF4G COMPLEXES REVEAL AN E INTERFACE TO REGULATE TRANSLATION INITIATION. MOL.CELL V. 64 467 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 5T46 - MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 5T46 - MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 5T46 - MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MGP; Similar ligands found: 80
No: Ligand ECFP6 Tc MDL keys Tc
1 MGP 1 1
2 6G0 0.986667 1
3 G7M 0.794872 0.987013
4 GTG 0.741935 0.974684
5 GTA 0.71875 0.974684
6 MG7 0.653846 0.884615
7 GTP 0.619565 0.961039
8 MGO 0.619565 0.901235
9 GDP 7MG 0.592233 0.949367
10 GP3 0.55914 0.936709
11 GDP 0.553191 0.961039
12 GSP 0.525253 0.91358
13 MGQ 0.514852 0.925
14 GAV 0.5 0.925
15 G1R 0.5 0.948718
16 GNH 0.5 0.948718
17 MGV 0.5 0.880952
18 01G 0.495327 0.870588
19 GNP 0.49505 0.936709
20 ATP 0.494737 0.884615
21 AQP 0.489583 0.884615
22 5FA 0.489583 0.884615
23 GCP 0.485149 0.936709
24 G5P 0.477477 0.936709
25 7DT 0.474227 0.871795
26 G2R 0.471698 0.925
27 5GP 0.46875 0.948052
28 G 0.46875 0.948052
29 ITT 0.46875 0.835443
30 G3A 0.468468 0.936709
31 0O2 0.46729 0.948052
32 Y9Z 0.463636 0.892857
33 GDC 0.463636 0.925
34 GKE 0.463636 0.925
35 GDD 0.463636 0.925
36 GMV 0.460784 0.936709
37 GFB 0.459459 0.949367
38 GDR 0.459459 0.949367
39 DGT 0.456311 0.888889
40 GPD 0.45614 0.914634
41 6CK 0.455357 0.902439
42 G2P 0.451923 0.925
43 AP5 0.447917 0.860759
44 B4P 0.447917 0.860759
45 JB2 0.447368 0.949367
46 GKD 0.447368 0.925
47 8GT 0.445545 0.843373
48 NGD 0.445378 0.949367
49 GPG 0.440367 0.925
50 BA3 0.4375 0.860759
51 GH3 0.433962 0.935897
52 ADP 0.43299 0.884615
53 GP2 0.431373 0.925
54 GDX 0.431034 0.936709
55 MGT 0.428571 0.837209
56 RGT 0.428571 0.875
57 YGP 0.428571 0.891566
58 IDP 0.425743 0.935065
59 A4P 0.425 0.83908
60 JB3 0.425 0.9375
61 CAG 0.424 0.894118
62 25L 0.423423 0.873418
63 GDP MG 0.423077 0.9125
64 GDP BEF 0.419048 0.890244
65 A2D 0.416667 0.860759
66 GCP G 0.416667 0.924051
67 7DD 0.414141 0.871795
68 6AD 0.413462 0.855422
69 AGS 0.411765 0.841463
70 SAP 0.411765 0.841463
71 G3D 0.411215 0.948052
72 G2Q 0.409091 0.925
73 BEF GDP 0.407407 0.879518
74 GTP MG 0.407407 0.9125
75 ALF 5GP 0.40566 0.879518
76 TPG 0.40458 0.853933
77 ANP 0.403846 0.8625
78 ACQ 0.403846 0.8625
79 G4P 0.40367 0.948052
80 2MD 0.4 0.860465
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5T46; Ligand: MGP; Similar sites found: 61
This union binding pocket(no: 1) in the query (biounit: 5t46.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4MN7 SME 0.003997 0.43806 2.01342
2 3HIW C2X 0.0158 0.42232 2.27273
3 2Z8G GLC GLC BGC 0.02188 0.40029 2.72727
4 1GET NAP 0.02405 0.43538 3.63636
5 1GET FAD 0.02309 0.43538 3.63636
6 4OCT AKG 0.01816 0.40527 4.09091
7 4HXY NDP 0.02133 0.4257 4.54545
8 1P1C SAH 0.02198 0.41159 4.54545
9 1XCL SAH 0.03749 0.40333 4.54545
10 5A04 BGC 0.03039 0.42688 5
11 5A04 NDP 0.03039 0.42688 5
12 3SAO NKN 0.01859 0.40678 5
13 2DW7 SRT 0.005471 0.42977 5.45455
14 1QCI ADE 0.01588 0.40447 5.45455
15 1MO9 KPC 0.00757 0.47962 6.06061
16 1MO9 FAD 0.01583 0.45885 6.06061
17 5KMS NAD 0.02366 0.44218 6.06061
18 5KMS FAD 0.02788 0.42732 6.06061
19 2FY3 CHT 0.04543 0.40206 7.57576
20 4I2D APC 0.02198 0.40089 7.57576
21 4QT2 RAP 0.008134 0.42331 8.39695
22 2WPF FAD 0.02411 0.44118 9.09091
23 2WPF WPF 0.02792 0.43858 9.09091
24 5JWC FAD 0.04414 0.41389 9.09091
25 5G3U ITW 0.03592 0.41216 9.09091
26 1YID ATP 0.02946 0.40147 9.09091
27 2QUN FUD 0.009155 0.40824 10.3448
28 5ESO ISC 0.01216 0.44191 10.6061
29 5ESO TDP 0.01216 0.44191 10.6061
30 2C6Q NDP 0.03135 0.42306 10.6061
31 1PJS NAD 0.01484 0.41686 10.6061
32 5KVA SAM 0.03291 0.41277 10.6061
33 3RG9 NDP 0.04152 0.40587 10.6061
34 5LUN OGA 0.01241 0.40395 10.6061
35 5ML3 DL3 0.01997 0.42034 10.7383
36 5MGD GLC GAL GAL 0.006058 0.44686 12.1212
37 5U8U FAD 0.03379 0.44045 12.1212
38 4LAY I63 0.004218 0.43034 12.1212
39 2Q8Z NUP 0.03417 0.40535 12.1212
40 3FW9 SLX 0.03228 0.40101 12.1212
41 4AZW SAM 0.03089 0.40036 12.1212
42 4X7G 3Y8 0.03718 0.40592 13.6364
43 3PQB VGP 0.03271 0.40428 13.6364
44 5C1P ADP 0.03672 0.4072 15.1515
45 5VZ0 2BA 0.00358 0.42761 18.1818
46 1NVT NAP 0.02111 0.42027 18.1818
47 2W9S NDP 0.02403 0.40684 18.1818
48 1MDB AMP DBH 0.02909 0.40156 18.1818
49 2FV5 541 0.03072 0.41816 21.2121
50 1BOB ACO 0.0274 0.4016 21.2121
51 2RAB NAD 0.04877 0.42618 22.7273
52 4EMJ FAD 0.01832 0.44192 24.2424
53 4EMI NAD 0.03808 0.42876 24.2424
54 1F76 FMN 0.009285 0.42731 24.2424
55 2F5Z FAD 0.04673 0.42175 24.2424
56 4EMI FAD 0.03289 0.42082 24.2424
57 1ZMD FAD 0.04724 0.4203 24.2424
58 3RNM FAD 0.04933 0.41927 24.2424
59 3T7S SAM 0.03633 0.40304 25.7576
60 1T90 NAD 0.03463 0.41256 28.7879
61 2Z3U CRR 0.02133 0.42018 36.3636
Pocket No.: 2; Query (leader) PDB : 5T46; Ligand: MGP; Similar sites found: 10
This union binding pocket(no: 2) in the query (biounit: 5t46.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WOX NDP 0.0336 0.40553 2.27273
2 5IN4 6CK 0.04185 0.44707 3.63636
3 1XNK XS2 0.01834 0.40286 4.08163
4 3ICR FAD 0.04739 0.40904 4.54545
5 4Y7U 2KH 0.04212 0.40008 5
6 2TPS TPS 0.02572 0.41144 5.45455
7 5X8G S0N 0.03845 0.41881 6.06061
8 1JQ9 PHE LEU SER TYR LYS 0.03266 0.41967 6.61157
9 1YZX GSF 0.02364 0.40713 10.6061
10 1YQZ FAD 0.04325 0.42905 13.6364
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