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 283 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 (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 235 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 5OSY ic50 = 0.0447 uM AJQ C21 H30 N10 O15 P3 S3 C[n+]1cn(c....
4 1XMM - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
5 1ST4 - GTA C21 H30 N10 O17 P3 C[n+]1cn(c....
6 1ST0 - GTG C21 H30 N10 O18 P3 C[n+]1cn(c....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 193 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 5OSY ic50 = 0.0447 uM AJQ C21 H30 N10 O15 P3 S3 C[n+]1cn(c....
4 1XMM - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
5 1ST4 - GTA C21 H30 N10 O17 P3 C[n+]1cn(c....
6 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 5GP 0.583333 0.960526
11 G 0.583333 0.960526
12 AJQ 0.5 0.914634
13 GDP 0.483871 0.948052
14 AIR 0.481013 0.855263
15 GP3 0.473118 0.924051
16 MGO 0.46875 0.888889
17 GTP 0.46875 0.948052
18 GP2 0.468085 0.9125
19 GNH 0.463158 0.935897
20 G2P 0.459184 0.9125
21 GMV 0.453608 0.924051
22 AMP 0.453488 0.87013
23 A 0.453488 0.87013
24 AMZ 0.452381 0.87013
25 C2R 0.452381 0.858974
26 93A 0.450549 0.793103
27 GAV 0.45 0.9125
28 XMP 0.449438 0.897436
29 G1R 0.44898 0.935897
30 GCP 0.44898 0.924051
31 9GM 0.444444 0.924051
32 GNP 0.444444 0.924051
33 GSP 0.444444 0.901235
34 NIA 0.44186 0.829268
35 IMP 0.43956 0.934211
36 ALF 5GP 0.438776 0.890244
37 RMB 0.438202 0.805195
38 6MZ 0.433333 0.883117
39 GPG 0.432692 0.9125
40 RBZ 0.431818 0.807692
41 Y9Z 0.429907 0.880952
42 71V 0.428571 0.819277
43 PMO 0.428571 0.807692
44 G2R 0.423077 0.9125
45 AAM 0.422222 0.87013
46 IMO 0.422222 0.833333
47 7RA 0.422222 0.883117
48 YGP 0.420561 0.902439
49 1RB 0.420455 0.792208
50 GDC 0.416667 0.9125
51 GDD 0.416667 0.9125
52 GKE 0.416667 0.9125
53 GDP ALF 0.413462 0.890244
54 GDP AF3 0.413462 0.890244
55 ALF GDP 0.413462 0.890244
56 GFB 0.412844 0.936709
57 GDR 0.412844 0.936709
58 IRN 0.4125 0.776316
59 G3A 0.409091 0.924051
60 FAI 0.406593 0.87013
61 G5P 0.405405 0.924051
62 KB7 0.40404 0.829268
63 JB2 0.401786 0.936709
64 GKD 0.401786 0.9125
65 NGD 0.401709 0.936709
66 G G 0.4 0.948718
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 with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1st0.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1ST0; Ligand: GTG; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 1st0.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 5BV3 M7G 48.6647
2 5BV3 M7G 48.6647
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