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 253 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 209 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 173 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: 65
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 A 0.453488 0.87013
23 AMP 0.453488 0.87013
24 C2R 0.452381 0.858974
25 AMZ 0.452381 0.87013
26 93A 0.450549 0.793103
27 GAV 0.45 0.9125
28 XMP 0.449438 0.897436
29 GCP 0.44898 0.924051
30 G1R 0.44898 0.935897
31 GSP 0.444444 0.901235
32 9GM 0.444444 0.924051
33 GNP 0.444444 0.924051
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 GPG 0.432692 0.9125
39 RBZ 0.431818 0.807692
40 Y9Z 0.429907 0.880952
41 71V 0.428571 0.819277
42 PMO 0.428571 0.807692
43 G2R 0.423077 0.9125
44 AAM 0.422222 0.87013
45 7RA 0.422222 0.883117
46 IMO 0.422222 0.833333
47 YGP 0.420561 0.902439
48 1RB 0.420455 0.792208
49 GDC 0.416667 0.9125
50 GKE 0.416667 0.9125
51 GDD 0.416667 0.9125
52 GDP AF3 0.413462 0.890244
53 ALF GDP 0.413462 0.890244
54 GDP ALF 0.413462 0.890244
55 GDR 0.412844 0.936709
56 GFB 0.412844 0.936709
57 IRN 0.4125 0.776316
58 G3A 0.409091 0.924051
59 FAI 0.406593 0.87013
60 G5P 0.405405 0.924051
61 GKD 0.401786 0.9125
62 JB2 0.401786 0.936709
63 NGD 0.401709 0.936709
64 5O8 0.4 0.729167
65 G G 0.4 0.948718
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: 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 Sequence Similarity
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