Receptor
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;
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538.215 C11 H19 N5 O14 P3 C[n+]...
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90% Homology Family
Leader
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 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 222 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 185 families.
1 5BXV - 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 : 5BXV; Ligand: MGP; Similar sites found: 59
This union binding pocket(no: 1) in the query (biounit: 5bxv.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3G5D 1N1 0.0407 0.42148 1.5625
2 5IN4 6CK 0.03071 0.45557 2.60417
3 5IN4 GDP 0.03403 0.45169 2.60417
4 4NON GDP 0.01424 0.43094 2.60417
5 5TIV A3P 0.03787 0.42165 3.125
6 2BL9 NDP 0.04093 0.40618 3.125
7 2BL9 CP6 0.04093 0.40618 3.125
8 5KMS FAD 0.02512 0.43107 4.54545
9 3WCA FPS 0.01394 0.41747 5.72917
10 1GWN GTP 0.02277 0.40973 5.72917
11 4X7G 3Y8 0.03021 0.40922 5.72917
12 2CDU FAD 0.0492 0.41238 6.25
13 1JQ9 PHE LEU SER TYR LYS 0.04752 0.40608 6.61157
14 5HCV 60R 0.02027 0.41056 6.77083
15 2RAB NAD 0.02039 0.43983 6.81818
16 4NMC FAD 0.02792 0.41897 6.81818
17 4NMC 2OP 0.02691 0.41897 6.81818
18 1DR1 NAP 0.04964 0.41 6.81818
19 1DR1 HBI 0.04964 0.41 6.81818
20 2P0D I3P 0.001396 0.40485 6.81818
21 2W9S NDP 0.03598 0.40399 8.07453
22 2YG3 FAD 0.03709 0.41752 8.85417
23 4RVU NDP 0.02468 0.42912 9.09091
24 4G74 UQ5 0.04716 0.42262 9.09091
25 4G74 FAD 0.03953 0.41942 9.09091
26 1PJS NAD 0.01837 0.40811 9.09091
27 5D9O BGC BGC BGC BGC 0.002099 0.48148 9.375
28 4GUT FAD 0.04482 0.42733 11.3636
29 4GUS FAD 0.04324 0.42652 11.3636
30 4FWE FAD 0.04277 0.42607 11.3636
31 3HIW C2X 0.01507 0.42187 11.3636
32 3TKY SAH 0.01023 0.41998 11.3636
33 1NVT NAP 0.02317 0.41288 11.3636
34 5KVA SAM 0.0362 0.40661 11.3636
35 5M60 BGC 0.01843 0.40305 11.3636
36 3AB1 FAD 0.0472 0.41732 11.9792
37 3O84 HTJ 0.001972 0.48054 13.6364
38 2WPF WPF 0.01155 0.47744 13.6364
39 3AMN CBK 0.009053 0.43374 13.6364
40 3AMN CBI 0.009053 0.43374 13.6364
41 5ML3 DL3 0.01685 0.42615 13.6364
42 1MO9 KPC 0.009799 0.47216 15.9091
43 1GET NAP 0.03053 0.43403 15.9091
44 1GET FAD 0.02933 0.43403 15.9091
45 1TIW FAD 0.03635 0.41601 15.9091
46 1TIW TFB 0.03635 0.41601 15.9091
47 1H0H MGD 0.04885 0.41036 15.9091
48 3ML1 MGD 0.03217 0.45263 18.1818
49 4EMJ FAD 0.03152 0.42395 18.1818
50 2VK4 TPP 0.02858 0.41199 18.1818
51 4EMI FAD 0.04938 0.40519 18.1818
52 5C1P ADP 0.04314 0.40052 18.1818
53 4HK8 XYP XYP XYP XYP XYP XYP 0.0178 0.40914 20.4545
54 3EQO LGC 0.02023 0.40255 22.7273
55 3GXO SAH 0.0125 0.40656 25
56 1Q1R FAD 0.0409 0.42055 27.2727
57 5B48 TDN 0.03171 0.40002 27.2727
58 2Z3Y F2N 0.04516 0.42349 30.7292
59 1XNK XS2 0.01434 0.4088 34.0909
Pocket No.: 2; Query (leader) PDB : 5BXV; Ligand: MGP; Similar sites found: 54
This union binding pocket(no: 2) in the query (biounit: 5bxv.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2A8X FAD 0.04328 0.41869 1.5625
2 4M52 FAD 0.04397 0.41602 1.5625
3 4MN7 SME 0.02669 0.40524 2.01342
4 4Y7U 2KH 0.02688 0.40911 3.125
5 1R4W GSH 0.01782 0.40621 3.125
6 5JWC FAD 0.02474 0.42911 4.16667
7 1YZX GSF 0.01898 0.4094 4.16667
8 3JSX FAD 0.04582 0.40837 4.16667
9 5KMS NAD 0.02065 0.44778 4.54545
10 2TPS TPS 0.01357 0.42471 4.54545
11 4AZW SAM 0.02595 0.40758 4.54545
12 5GVL PLG 0.04593 0.40982 4.6875
13 5GVL GI8 0.04593 0.40982 4.6875
14 3T7S SAM 0.03505 0.40304 4.6875
15 3DFR NDP 0.01986 0.41848 4.93827
16 5U8U FAD 0.03233 0.44045 5.72917
17 5A04 BGC 0.02679 0.42527 5.72917
18 5A04 NDP 0.02679 0.42527 5.72917
19 1T90 NAD 0.0459 0.4058 5.72917
20 5L7G 6QE 0.01338 0.41809 6.77083
21 2RAB FAD 0.04783 0.41207 6.81818
22 3G89 SAM 0.03555 0.40274 6.81818
23 5ECP ATP 0.04206 0.42229 7.29167
24 5ECP JAA 0.04305 0.42081 7.29167
25 3NT6 FAD 0.04472 0.40362 7.29167
26 3RG9 WRA 0.04625 0.40074 7.29167
27 3IA4 NDP 0.02038 0.42402 7.40741
28 3RM4 3RM 0.04556 0.41935 8.33333
29 3WLV AZA 0.02302 0.40771 8.33333
30 3QT6 2P0 0.04264 0.41026 8.85417
31 3COW 52H 0.02564 0.42693 9.09091
32 2F5Z FAD 0.03308 0.42694 11.3636
33 3RNM FAD 0.03603 0.42278 11.3636
34 1ZMD FAD 0.03669 0.42225 11.3636
35 3CGB FAD 0.04357 0.41687 11.3636
36 4LAE NAP 0.02684 0.43367 11.976
37 4LAE 1VM 0.02684 0.43367 11.976
38 5N58 93W 0.02177 0.40034 13.5417
39 3ICR FAD 0.02797 0.41226 15.9091
40 4G19 GSH 0.0235 0.41199 15.9091
41 2Z8G GLC GLC BGC 0.01598 0.40619 15.9091
42 1ND2 MYR 0.02698 0.40246 15.9091
43 3ICT FAD 0.03856 0.40176 15.9091
44 1MDB AMP DBH 0.02051 0.4115 16.6667
45 5MGD GLC GAL GAL 0.003252 0.46391 18.1818
46 4EMI NAD 0.02355 0.43703 18.1818
47 3QFA FAD 0.04636 0.41314 18.1818
48 2HQM FAD 0.04117 0.41958 20.4545
49 2QE0 NAP 0.04148 0.41886 20.4545
50 1YQZ FAD 0.04095 0.4231 27.2727
51 2FV5 541 0.02365 0.4201 27.2727
52 2Z3U CRR 0.004148 0.46569 31.8182
53 1YY5 FAD 0.03533 0.42574 31.8182
54 2QUN FUD 0.008933 0.41641 34.0909
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