Receptor
PDB id Resolution Class Description Source Keywords
3CTR 2.1 Å EC: 3.1.13.4 CRYSTAL STRUCTURE OF THE RRM-DOMAIN OF THE POLY(A)-SPECIFIC RIBONUCLEASE PARN BOUND TO M7GTP HOMO SAPIENS PARN PROTEIN-RNA-COMPLEX M7G-CAP M7GTP RNA RECOGNITION MRRM EXONUCLEASE HYDROLASE MAGNESIUM METAL-BINDING NONSMEDIATED MRNA DECAY NUCLEASE NUCLEUS PHOSPHOPROTEIN RNA
Ref.: CRYSTAL STRUCTURE OF THE RRM DOMAIN OF POLY(A)-SPEC RIBONUCLEASE REVEALS A NOVEL M(7)G-CAP-BINDING MODE J.MOL.BIOL. V. 382 827 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MGP A:1;
Valid;
none;
Kd = 6.94 uM
538.215 C11 H19 N5 O14 P3 C[n+]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CTR 2.1 Å EC: 3.1.13.4 CRYSTAL STRUCTURE OF THE RRM-DOMAIN OF THE POLY(A)-SPECIFIC RIBONUCLEASE PARN BOUND TO M7GTP HOMO SAPIENS PARN PROTEIN-RNA-COMPLEX M7G-CAP M7GTP RNA RECOGNITION MRRM EXONUCLEASE HYDROLASE MAGNESIUM METAL-BINDING NONSMEDIATED MRNA DECAY NUCLEASE NUCLEUS PHOSPHOPROTEIN RNA
Ref.: CRYSTAL STRUCTURE OF THE RRM DOMAIN OF POLY(A)-SPEC RIBONUCLEASE REVEALS A NOVEL M(7)G-CAP-BINDING MODE J.MOL.BIOL. V. 382 827 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CTR Kd = 6.94 uM 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 1 families.
1 3CTR Kd = 6.94 uM 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 1 families.
1 3CTR Kd = 6.94 uM 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 : 3CTR; Ligand: MGP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3ctr.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3CTR; Ligand: MGP; Similar sites found: 12
This union binding pocket(no: 2) in the query (biounit: 3ctr.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2NV2 GLN 0.01857 0.40467 None
2 1LDN NAD 0.03046 0.41001 1.9802
3 3HQP ATP 0.02062 0.40033 3.9604
4 2RKV ZBA 0.03884 0.4164 5.94059
5 3VMF GTP 0.03616 0.40268 6.93069
6 3OOI SAM 0.008555 0.42575 8.91089
7 3T1A 5MA 0.01833 0.40648 9.90099
8 1X38 IDD 0.02441 0.4005 13.8614
9 3RAB GNP 0.02917 0.40018 13.8614
10 5UWT GNP 0.02089 0.41065 15.8416
11 5SZH GNP 0.02622 0.40307 19.802
12 4HDQ GNP 0.0246 0.41043 21.7822
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