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Receptor
PDB id Resolution Class Description Source Keywords
5BXV 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE EIF4E COMPLEX MUS MUSCULUS COMPLEX TRANSLATION
Ref.: MOLECULAR MECHANISM OF THE DUAL ACTIVITY OF 4EGI-1: DISSOCIATING EIF4G FROM EIF4E BUT STABILIZING THE B UNPHOSPHORYLATED 4E-BP1. PROC.NATL.ACAD.SCI.USA V. 112 E4036 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MGP C:301;
A:301;
Valid;
Valid;
none;
none;
submit data
538.215 C11 H19 N5 O14 P3 C[n+]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5BXV 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE EIF4E COMPLEX MUS MUSCULUS COMPLEX TRANSLATION
Ref.: MOLECULAR MECHANISM OF THE DUAL ACTIVITY OF 4EGI-1: DISSOCIATING EIF4G FROM EIF4E BUT STABILIZING THE B UNPHOSPHORYLATED 4E-BP1. PROC.NATL.ACAD.SCI.USA V. 112 E4036 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 5BXV - 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 247 families.
1 5BXV - 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 209 families.
1 5BXV - MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MGP; Similar ligands found: 81
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 G1R 0.5 0.948718
15 MGV 0.5 0.880952
16 GAV 0.5 0.925
17 GNH 0.5 0.948718
18 01G 0.495327 0.870588
19 9GM 0.49505 0.936709
20 GNP 0.49505 0.936709
21 HFD 0.494845 0.841463
22 HEJ 0.494737 0.884615
23 ATP 0.494737 0.884615
24 AQP 0.489583 0.884615
25 5FA 0.489583 0.884615
26 GCP 0.485149 0.936709
27 G5P 0.477477 0.936709
28 7DT 0.474227 0.871795
29 G2R 0.471698 0.925
30 5GP 0.46875 0.948052
31 G 0.46875 0.948052
32 ITT 0.46875 0.835443
33 G3A 0.468468 0.936709
34 0O2 0.46729 0.948052
35 AJQ 0.466102 0.926829
36 GKE 0.463636 0.925
37 GDC 0.463636 0.925
38 GDD 0.463636 0.925
39 Y9Z 0.463636 0.892857
40 GMV 0.460784 0.936709
41 GFB 0.459459 0.949367
42 GDR 0.459459 0.949367
43 DGT 0.456311 0.888889
44 GPD 0.45614 0.914634
45 6CK 0.455357 0.902439
46 G2P 0.451923 0.925
47 AP5 0.447917 0.860759
48 B4P 0.447917 0.860759
49 GKD 0.447368 0.925
50 JB2 0.447368 0.949367
51 8GT 0.445545 0.843373
52 NGD 0.445378 0.949367
53 GPG 0.440367 0.925
54 BA3 0.4375 0.860759
55 GH3 0.433962 0.935897
56 ADP 0.43299 0.884615
57 6YZ 0.432692 0.8625
58 GP2 0.431373 0.925
59 GDX 0.431034 0.936709
60 YGP 0.428571 0.891566
61 MGT 0.428571 0.837209
62 RGT 0.428571 0.875
63 IDP 0.425743 0.935065
64 JB3 0.425 0.9375
65 A4P 0.425 0.83908
66 CAG 0.424 0.894118
67 25L 0.423423 0.873418
68 A2D 0.416667 0.860759
69 7DD 0.414141 0.871795
70 6AD 0.413462 0.855422
71 SAP 0.411765 0.841463
72 AGS 0.411765 0.841463
73 G3D 0.411215 0.948052
74 G2Q 0.409091 0.925
75 ALF 5GP 0.40566 0.879518
76 TPG 0.40458 0.853933
77 ACQ 0.403846 0.8625
78 ANP 0.403846 0.8625
79 G4P 0.40367 0.948052
80 C1Z 0.401786 0.948052
81 2MD 0.4 0.860465
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5BXV; Ligand: MGP; Similar sites found with APoc: 90
This union binding pocket(no: 1) in the query (biounit: 5bxv.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 5Z2F NAP 2.08333
2 4WP9 ZDA 2.25989
3 5IN4 6CK 2.60417
4 5IN4 GDP 2.60417
5 5IN4 NAP 2.60417
6 4NON GDP 2.60417
7 2ZW5 COA 2.60417
8 4ZDC CO8 2.66667
9 3JYN NDP 3.125
10 5TIV A3P 3.125
11 1VL8 NAP 3.125
12 2BL9 NDP 3.125
13 2BL9 CP6 3.125
14 4MP8 MLI 3.64583
15 4MP8 NAD 3.64583
16 3JSX FAD 4.16667
17 5KMS FAD 4.54545
18 3WDM ADN 4.6875
19 3WCA FPS 5.72917
20 1GWN GTP 5.72917
21 4X7G 3Y8 5.72917
22 5A04 NDP 5.72917
23 5A04 BGC 5.72917
24 2CDU FAD 6.25
25 1JQ9 PHE LEU SER TYR LYS 6.61157
26 5MWY YNU 6.77083
27 5HCV 60R 6.77083
28 5MJI 7O6 6.81818
29 2P0D I3P 6.81818
30 2RAB NAD 6.81818
31 4NMC FAD 6.81818
32 4NMC 2OP 6.81818
33 1DR1 HBI 6.81818
34 1DR1 NAP 6.81818
35 2X7J TPP 6.81818
36 1J3I NDP 6.81818
37 2W9S NDP 8.07453
38 5XVR TRH 8.33333
39 2YG3 FAD 8.85417
40 4RVU NDP 9.09091
41 1PJS NAD 9.09091
42 5DN9 NAD 9.375
43 2X3F APC 9.375
44 5WM2 AMP 10.4167
45 5WM2 SAL 10.4167
46 4GUT FAD 11.3636
47 4GUS FAD 11.3636
48 4FWE FAD 11.3636
49 3HIW C2X 11.3636
50 3TKY SAH 11.3636
51 1NVT NAP 11.3636
52 5KVA SAM 11.3636
53 5M60 BGC 11.3636
54 5UY8 8UM 11.3636
55 1SC6 NAD 11.3636
56 6FCH PRP 11.3636
57 3AB1 FAD 11.9792
58 3O84 HTJ 13.6364
59 2WPF WPF 13.6364
60 3AMN CBK 13.6364
61 3AMN CBI 13.6364
62 1G8K MGD 13.6364
63 5ML3 DL3 13.6364
64 1SJD NPG 13.6364
65 5B47 PYR 13.6364
66 1MO9 FAD 15.9091
67 1MO9 KPC 15.9091
68 3U4C NDP 15.9091
69 1GET FAD 15.9091
70 1GET NAP 15.9091
71 5VN0 NAI 15.9091
72 1KQF MGD 15.9091
73 1TIW FAD 15.9091
74 1TIW TFB 15.9091
75 5VN0 FAD 15.9091
76 1H0H MGD 15.9091
77 3ML1 MGD 18.1818
78 1N7G NDP 18.1818
79 4EMJ FAD 18.1818
80 2VK4 TPP 18.1818
81 4EMI FAD 18.1818
82 5C1P ADP 18.1818
83 4HK8 XYP XYP XYP XYP XYP XYP 20.4545
84 3EQO LGC 22.7273
85 3GXO SAH 25
86 5NA1 FAD 27.2727
87 1Q1R FAD 27.2727
88 5B48 TDN 27.2727
89 2Z3Y F2N 30.7292
90 1XNK XS2 34.0909
Pocket No.: 2; Query (leader) PDB : 5BXV; Ligand: MGP; Similar sites found with APoc: 64
This union binding pocket(no: 2) in the query (biounit: 5bxv.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 2A8X FAD 1.5625
2 4M52 FAD 1.5625
3 4MN7 SME 2.01342
4 4Y7U 2KH 3.125
5 1R4W GSH 3.125
6 1LVL FAD 3.49345
7 5JWC FAD 4.16667
8 1YZX GSF 4.16667
9 5KMS NAD 4.54545
10 2TPS TPS 4.54545
11 4AZW SAM 4.54545
12 5GVL PLG 4.6875
13 5GVL GI8 4.6875
14 3T7S SAM 4.6875
15 3DFR NDP 4.93827
16 5U8U FAD 5.72917
17 1T90 NAD 5.72917
18 1FEC FAD 6.77083
19 5L7G 6QE 6.77083
20 1J3I WRA 6.81818
21 4JJF N2I 6.81818
22 4JJF FE9 6.81818
23 2RAB FAD 6.81818
24 3G89 SAM 6.81818
25 5ECP ATP 7.29167
26 5ECP JAA 7.29167
27 3NT6 FAD 7.29167
28 3NTD FAD 7.29167
29 3RG9 WRA 7.29167
30 3IA4 NDP 7.40741
31 3RM4 3RM 8.33333
32 3WLV AZA 8.33333
33 3QT6 2P0 8.85417
34 3COW 52H 9.09091
35 5D9O BGC BGC BGC BGC 9.375
36 2F5Z FAD 11.3636
37 3CGB FAD 11.3636
38 3RNM FAD 11.3636
39 5J5Z FAD 11.3636
40 3GE7 AFQ 11.3636
41 4LAE NAP 11.976
42 4LAE 1VM 11.976
43 5N58 93W 13.5417
44 2WPF FAD 13.6364
45 4EIL NDP 15.9091
46 3ICT FAD 15.9091
47 3ICR FAD 15.9091
48 4G19 GSH 15.9091
49 2Z8G GLC GLC BGC 15.9091
50 1MDB AMP DBH 16.6667
51 5MGD GLC GAL GAL 18.1818
52 4EMI NAD 18.1818
53 6FP4 E1T 18.1818
54 3QFA FAD 18.1818
55 1RLZ NAD 18.1818
56 6GNF QPS 18.1818
57 2HQM FAD 20.4545
58 2QE0 NAP 20.4545
59 2YVJ FAD 22.7273
60 1YQZ FAD 27.2727
61 2FV5 541 27.2727
62 2Z3U CRR 31.8182
63 1YY5 FAD 31.8182
64 2QUN FUD 34.0909
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