Receptor
PDB id Resolution Class Description Source Keywords
3DGY 1.8 Å EC: 3.1.4.8 CRYSTAL STRUCTURE OF RIBONUCLEASE SA2 WITH GUANOSINE-2'-CYCL STREPTOMYCES AUREOFACIENS RIBONUCLEASE HYDROLASE PROTEIN-MONONUCLEOTIDE COMPLEX GUA2-prime -MONOPHOSPHATE MONONUCLEOTIDE
Ref.: STRUCTURE OF RNASE SA2 COMPLEXES WITH MONONUCLEOTID ASPECTS OF CATALYTIC REACTION AND SUBSTRATE RECOGNI FEBS J. V. 276 4156 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2GP B:98;
Valid;
none;
submit data
363.221 C10 H14 N5 O8 P c1nc2...
BGC A:99;
Invalid;
none;
submit data
180.156 C6 H12 O6 C([C@...
SO4 A:98;
B:100;
C:198;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DGY 1.8 Å EC: 3.1.4.8 CRYSTAL STRUCTURE OF RIBONUCLEASE SA2 WITH GUANOSINE-2'-CYCL STREPTOMYCES AUREOFACIENS RIBONUCLEASE HYDROLASE PROTEIN-MONONUCLEOTIDE COMPLEX GUA2-prime -MONOPHOSPHATE MONONUCLEOTIDE
Ref.: STRUCTURE OF RNASE SA2 COMPLEXES WITH MONONUCLEOTID ASPECTS OF CATALYTIC REACTION AND SUBSTRATE RECOGNI FEBS J. V. 276 4156 2009
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 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[....
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 (2D)
Ligand no: 1; Ligand: 2GP; Similar ligands found: 87
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 GDC 0.535354 0.948052
22 GKE 0.535354 0.948052
23 GCP 0.532609 0.935065
24 G1R 0.532609 0.947368
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 GDP BEF 0.516129 0.897436
31 CG2 0.513761 0.924051
32 GTP MG 0.510638 0.921053
33 U2G 0.509259 0.924051
34 DG 0.505747 0.922078
35 DGP 0.505747 0.922078
36 GH3 0.505263 0.96
37 GKD 0.5 0.948052
38 KB7 0.5 0.814815
39 G2R 0.5 0.923077
40 GPX 0.494845 0.959459
41 GDP AF3 0.489796 0.853659
42 GDP ALF 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 GPC 0.482456 0.86747
48 G C 0.482143 0.8875
49 G3A 0.480769 0.935065
50 6CK 0.480769 0.9
51 YGP 0.480392 0.865854
52 G5P 0.47619 0.935065
53 Y9Z 0.475728 0.890244
54 JB2 0.471698 0.923077
55 GTG 0.471154 0.9
56 DGT 0.46875 0.935065
57 GPD 0.46729 0.888889
58 GDX 0.46729 0.935065
59 KBD 0.465347 0.814815
60 JB3 0.459459 0.911392
61 BGO 0.455357 0.911392
62 G1G 0.449153 0.888889
63 GDP 7MG 0.448598 0.875
64 KBJ 0.447619 0.785714
65 35G 0.446809 0.92
66 C2E 0.446809 0.907895
67 PCG 0.446809 0.92
68 FEG 0.442478 0.845238
69 5GP 5GP 0.442105 0.87013
70 ZGP 0.438596 0.835294
71 2MD 0.431034 0.857143
72 GGM 0.431034 0.888889
73 UCG 0.430894 0.898734
74 AKW 0.429825 0.855422
75 NGD 0.429825 0.923077
76 TPG 0.422764 0.808989
77 OVE 0.420455 0.87013
78 CAG 0.420168 0.847059
79 APC G U 0.418033 0.873418
80 3ZE 0.410526 0.848101
81 MGD 0.408333 0.857143
82 PGD 0.406504 0.888889
83 1YD 0.40367 0.907895
84 4BW 0.40367 0.907895
85 OMC OMU OMG OMG U 0.402985 0.833333
86 A2P 0.402174 0.891892
87 DBG 0.4 0.911392
Similar Ligands (3D)
Ligand no: 1; Ligand: 2GP; Similar ligands found: 14
No: Ligand Similarity coefficient
1 ACK 0.9133
2 QQY 0.9043
3 T3P 0.8927
4 U2P 0.8907
5 C2P 0.8868
6 2VA 0.8788
7 XTS 0.8738
8 GP0 0.8680
9 NVA 2AD 0.8660
10 MG7 0.8652
11 ADN 0.8651
12 EZZ 0.8593
13 A 0.8547
14 MTA 0.8533
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DGY; Ligand: 2GP; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 3dgy.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1GOY 3GP 28.866
APoc FAQ
Feedback