Receptor
PDB id Resolution Class Description Source Keywords
1XMM 2.5 Å EC: 3.-.-.- STRUCTURE OF HUMAN DCPS BOUND TO M7GDP HOMO SAPIENS SCAVENGER DECAPPING ENZYME BOUND M7GDP CHAPERONE
Ref.: CRYSTAL STRUCTURES OF HUMAN DCPS IN LIGAND-FREE AND M7GDP-BOUND FORMS SUGGEST A DYNAMIC MECHANISM FOR S MRNA DECAPPING. J.MOL.BIOL. V. 347 707 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G7M B:1502;
C:503;
Valid;
Valid;
none;
none;
submit data
378.255 C11 H17 N5 O8 P C[n+]...
M7G A:401;
D:404;
Valid;
Valid;
none;
none;
submit data
459.243 C11 H19 N5 O11 P2 CN1CN...
PO4 A:1601;
B:602;
C:603;
D:1604;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ST0 1.9 Å EC: 3.-.-.- STRUCTURE OF DCPS BOUND TO M7GPPPG HOMO SAPIENS RNA DECAY EXOSOME DECAPPING HIT PROTEIN MESSENGER RNA MRNA CAP RNA BINDING PROTEIN
Ref.: INSIGHTS INTO THE STRUCTURE, MECHANISM, AND REGULATION OF SCAVENGER MRNA DECAPPING ACTIVITY MOL.CELL V. 14 67 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 1XMM - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
2 1ST4 - GTA C21 H30 N10 O17 P3 C[n+]1cn(c....
3 1ST0 - GTG C21 H30 N10 O18 P3 C[n+]1cn(c....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 3BL9 ic50 = 43.94 nM DD2 C21 H23 Cl2 N5 O c1cc(c(c(c....
2 3BL7 ic50 = 7.62 nM DD1 C21 H24 F N5 O c1ccc(c(c1....
3 1XMM - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
4 1ST4 - GTA C21 H30 N10 O17 P3 C[n+]1cn(c....
5 1ST0 - GTG C21 H30 N10 O18 P3 C[n+]1cn(c....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 3BL9 ic50 = 43.94 nM DD2 C21 H23 Cl2 N5 O c1cc(c(c(c....
2 3BL7 ic50 = 7.62 nM DD1 C21 H24 F N5 O c1ccc(c(c1....
3 1XMM - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
4 1ST4 - GTA C21 H30 N10 O17 P3 C[n+]1cn(c....
5 1ST0 - GTG C21 H30 N10 O18 P3 C[n+]1cn(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: G7M; Similar ligands found: 67
No: Ligand ECFP6 Tc MDL keys Tc
1 G7M 1 1
2 MGP 0.794872 0.987013
3 6G0 0.78481 0.987013
4 MG7 0.728571 0.871795
5 GTG 0.655914 0.962025
6 GTA 0.652632 0.962025
7 MGQ 0.629214 0.936709
8 GDP 7MG 0.625 0.961538
9 MGV 0.608696 0.891566
10 G 0.583333 0.960526
11 5GP 0.583333 0.960526
12 GDP 0.483871 0.948052
13 AIR 0.481013 0.855263
14 GP3 0.473118 0.924051
15 MGO 0.46875 0.888889
16 GTP 0.46875 0.948052
17 GP2 0.468085 0.9125
18 GNH 0.463158 0.935897
19 G2P 0.459184 0.9125
20 GMV 0.453608 0.924051
21 A 0.453488 0.87013
22 AMP 0.453488 0.87013
23 C2R 0.452381 0.858974
24 AMZ 0.452381 0.87013
25 93A 0.450549 0.793103
26 GAV 0.45 0.9125
27 XMP 0.449438 0.897436
28 G1R 0.44898 0.935897
29 GCP 0.44898 0.924051
30 GNP 0.444444 0.924051
31 GSP 0.444444 0.901235
32 GDP MG 0.443299 0.924051
33 NIA 0.44186 0.829268
34 IMP 0.43956 0.934211
35 GDP BEF 0.438776 0.901235
36 ALF 5GP 0.438776 0.890244
37 RMB 0.438202 0.805195
38 GPG 0.432692 0.9125
39 RBZ 0.431818 0.807692
40 Y9Z 0.429907 0.880952
41 PMO 0.428571 0.807692
42 71V 0.428571 0.819277
43 GTP MG 0.425743 0.924051
44 BEF GDP 0.425743 0.890244
45 G2R 0.423077 0.9125
46 AAM 0.422222 0.87013
47 IMO 0.422222 0.833333
48 7RA 0.422222 0.883117
49 GCP G 0.421569 0.935897
50 YGP 0.420561 0.902439
51 1RB 0.420455 0.792208
52 GKE 0.416667 0.9125
53 GDD 0.416667 0.9125
54 GDC 0.416667 0.9125
55 GDP AF3 0.413462 0.890244
56 GDP ALF 0.413462 0.890244
57 GDR 0.412844 0.936709
58 GFB 0.412844 0.936709
59 IRN 0.4125 0.776316
60 G3A 0.409091 0.924051
61 FAI 0.406593 0.87013
62 G5P 0.405405 0.924051
63 G G 0.401869 0.935897
64 JB2 0.401786 0.936709
65 GKD 0.401786 0.9125
66 NGD 0.401709 0.936709
67 5O8 0.4 0.729167
Ligand no: 2; Ligand: M7G; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 M7G 1 1
2 MGT 0.910256 1
3 M7M 0.541667 0.963855
4 G8D 0.537634 0.914634
5 TPG 0.525 0.920455
6 8GT 0.494845 0.914634
7 CDP 0.43617 0.829268
8 UDP 0.430108 0.780488
9 8GM 0.412371 0.902439
10 8OD 0.411765 0.77907
11 8GD 0.407767 0.872093
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ST0; Ligand: GTG; Similar sites found: 29
This union binding pocket(no: 1) in the query (biounit: 1st0.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4CQK PIO 0.02898 0.41528 None
2 2VGD XYP XYP 0.03431 0.40105 0.917431
3 3DJE FSA 0.03913 0.40773 2.07715
4 3WDX BGC BGC GLC 0.01267 0.40458 2.34899
5 2Q4H AMP 0.0004243 0.40991 2.37389
6 5M4Q PRO 0.04488 0.40068 2.67062
7 1Z03 OCH 0.01575 0.42916 2.96736
8 2PUL ACP 0.02478 0.40021 2.96736
9 1W2D ADP 0.01082 0.429 3.01887
10 3PUR 2HG 0.03198 0.41307 3.56083
11 1O9U ADZ 0.001864 0.47668 4.1543
12 4OPC FDA 0.02437 0.40115 4.74777
13 5DA3 58V 0.02599 0.40945 4.90566
14 1C1L GAL BGC 0.03986 0.40932 5.10949
15 2HZQ STR 0.02128 0.42353 5.17241
16 1ULE GLA GAL NAG 0.01137 0.44224 5.33333
17 4ZXA H8N 0.02631 0.413 5.35714
18 2Z48 NGA 0.01367 0.42304 5.93472
19 5C79 PBU 0.04446 0.403 10.6667
20 1YQC GLV 0.009225 0.41282 10.6825
21 5FIT AP2 0.00002612 0.40307 10.8844
22 4XBA 5GP 0.000005611 0.42393 11.5
23 4XBA GMP 0.00001574 0.40562 11.5
24 2CST MAE 0.01326 0.4332 12.4629
25 3N1S 5GP 0.000009674 0.41333 12.605
26 1UPR 4IP 0.04134 0.40196 14.6341
27 1DZT TPE 0.0283 0.41453 15.3005
28 3LQV ADE 0.002948 0.48016 25.641
29 5BV3 M7G 0.0000000000002427 0.63373 48.6647
Pocket No.: 2; Query (leader) PDB : 1ST0; Ligand: GTG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1st0.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback