Receptor
PDB id Resolution Class Description Source Keywords
1RGE 1.15 Å EC: 3.1.27.3 HYDROLASE, GUANYLORIBONUCLEASE STREPTOMYCES AUREOFACIENS HYDROLASE (GUANYLORIBONUCLEASE)
Ref.: RIBONUCLEASE FROM STREPTOMYCES AUREOFACIENS AT ATOM RESOLUTION. ACTA CRYSTALLOGR.,SECT.D V. 52 327 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2GP A:98;
Valid;
none;
submit data
363.221 C10 H14 N5 O8 P c1nc2...
SO4 A:97;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RGE 1.15 Å EC: 3.1.27.3 HYDROLASE, GUANYLORIBONUCLEASE STREPTOMYCES AUREOFACIENS HYDROLASE (GUANYLORIBONUCLEASE)
Ref.: RIBONUCLEASE FROM STREPTOMYCES AUREOFACIENS AT ATOM RESOLUTION. ACTA CRYSTALLOGR.,SECT.D V. 52 327 1996
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2SAR - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
2 1RSN - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
3 1GMR - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
4 1GMP - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
5 1RGE - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3DGY - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
2 3D4A - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
3 3D5I - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
4 3DH2 - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
5 2SAR - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
6 1RSN - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
7 1GMR - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
8 1GMP - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
9 1RGE - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3DGY - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
2 3D4A - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
3 3D5I - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
4 3DH2 - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
5 2SAR - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
6 1RSN - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
7 1GMR - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
8 1GMP - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
9 1RGE - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2GP; Similar ligands found: 97
No: Ligand ECFP6 Tc MDL keys Tc
1 2GP 1 1
2 3GP 0.733333 0.959459
3 GPG 0.701149 0.948052
4 GMP 0.657534 0.866667
5 G3D 0.613636 0.972973
6 5GP 0.609756 0.946667
7 G 0.609756 0.946667
8 P2G 0.590361 0.92
9 GSP 0.577778 0.911392
10 GDP 0.574713 0.96
11 GNH 0.568182 0.947368
12 G4P 0.565217 0.972973
13 GP3 0.563218 0.935065
14 P1G 0.55814 0.907895
15 GP2 0.556818 0.923077
16 GTP 0.555556 0.96
17 G2P 0.543478 0.923077
18 0O2 0.541667 0.972973
19 GMV 0.538462 0.935065
20 GDD 0.535354 0.948052
21 GKE 0.535354 0.948052
22 GDC 0.535354 0.948052
23 G1R 0.532609 0.947368
24 GCP 0.532609 0.935065
25 GAV 0.531915 0.923077
26 GNP 0.526882 0.935065
27 9GM 0.526882 0.935065
28 ALF 5GP 0.521739 0.853659
29 SGP 0.517241 0.860759
30 CG2 0.513761 0.924051
31 U2G 0.509259 0.924051
32 DG 0.505747 0.922078
33 DGP 0.505747 0.922078
34 GH3 0.505263 0.96
35 GCP G 0.50505 0.907895
36 KB7 0.5 0.814815
37 G2R 0.5 0.923077
38 GKD 0.5 0.948052
39 GPX 0.494845 0.959459
40 GDP ALF 0.489796 0.853659
41 GDP AF3 0.489796 0.853659
42 ALF GDP 0.489796 0.853659
43 DGI 0.48913 0.935065
44 2AM 0.487805 0.905405
45 GDR 0.485437 0.923077
46 GFB 0.485437 0.923077
47 G G 0.485437 0.910256
48 GPC 0.482456 0.86747
49 G C 0.482143 0.8875
50 6CK 0.480769 0.9
51 G3A 0.480769 0.935065
52 YGP 0.480392 0.865854
53 G U 0.477477 0.8875
54 G U34 0.477477 0.876543
55 G5P 0.47619 0.935065
56 Y9Z 0.475728 0.890244
57 JB2 0.471698 0.923077
58 GTG 0.471154 0.9
59 DGT 0.46875 0.935065
60 GPD 0.46729 0.888889
61 GDX 0.46729 0.935065
62 KBD 0.465347 0.814815
63 JB3 0.459459 0.911392
64 G G G RPC 0.45614 0.8625
65 BGO 0.455357 0.911392
66 G A A A 0.452174 0.910256
67 DG DG 0.45098 0.876543
68 G1G 0.449153 0.888889
69 GDP 7MG 0.448598 0.875
70 KBJ 0.447619 0.785714
71 C2E 0.446809 0.907895
72 35G 0.446809 0.92
73 PCG 0.446809 0.92
74 FEG 0.442478 0.845238
75 5GP 5GP 0.442105 0.87013
76 A G 0.439655 0.897436
77 ZGP 0.438596 0.835294
78 U A G G 0.435897 0.897436
79 G G G C 0.433333 0.876543
80 GGM 0.431034 0.888889
81 2MD 0.431034 0.857143
82 UCG 0.430894 0.898734
83 NGD 0.429825 0.923077
84 AKW 0.429825 0.855422
85 A G C C 0.429752 0.875
86 APC G U 0.428571 0.873418
87 TPG 0.422764 0.808989
88 OVE 0.420455 0.87013
89 CAG 0.420168 0.847059
90 G C C C 0.416 0.8875
91 3ZE 0.410526 0.848101
92 MGD 0.408333 0.857143
93 PGD 0.406504 0.888889
94 1YD 0.40367 0.907895
95 4BW 0.40367 0.907895
96 A2P 0.402174 0.891892
97 DBG 0.4 0.911392
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RGE; Ligand: 2GP; 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: 1rge.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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