-->
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: 94
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 G 0.609756 0.946667
7 5GP 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 GDC 0.535354 0.948052
21 GKE 0.535354 0.948052
22 GDD 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 G2R 0.5 0.923077
37 GKD 0.5 0.948052
38 GPX 0.494845 0.959459
39 GDP AF3 0.489796 0.853659
40 ALF GDP 0.489796 0.853659
41 GDP ALF 0.489796 0.853659
42 DGI 0.48913 0.935065
43 2AM 0.487805 0.905405
44 GDR 0.485437 0.923077
45 G G 0.485437 0.910256
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 G U34 0.477477 0.876543
53 G U 0.477477 0.8875
54 G5P 0.47619 0.935065
55 Y9Z 0.475728 0.890244
56 JB2 0.471698 0.923077
57 GTG 0.471154 0.9
58 DGT 0.46875 0.935065
59 GDX 0.46729 0.935065
60 GPD 0.46729 0.888889
61 JB3 0.459459 0.911392
62 G G G RPC 0.45614 0.8625
63 BGO 0.455357 0.911392
64 G A A A 0.452174 0.910256
65 DG DG 0.45098 0.876543
66 G1G 0.449153 0.888889
67 GDP 7MG 0.448598 0.875
68 PCG 0.446809 0.92
69 C2E 0.446809 0.907895
70 35G 0.446809 0.92
71 FEG 0.442478 0.845238
72 5GP 5GP 0.442105 0.87013
73 A G 0.439655 0.897436
74 ZGP 0.438596 0.835294
75 U A G G 0.435897 0.897436
76 G G G C 0.433333 0.876543
77 GGM 0.431034 0.888889
78 2MD 0.431034 0.857143
79 UCG 0.430894 0.898734
80 NGD 0.429825 0.923077
81 AKW 0.429825 0.855422
82 A G C C 0.429752 0.875
83 APC G U 0.428571 0.873418
84 TPG 0.422764 0.808989
85 OVE 0.420455 0.87013
86 CAG 0.420168 0.847059
87 G C C C 0.416 0.8875
88 3ZE 0.410526 0.848101
89 MGD 0.408333 0.857143
90 PGD 0.406504 0.888889
91 1YD 0.40367 0.907895
92 4BW 0.40367 0.907895
93 A2P 0.402174 0.891892
94 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: 142
This union binding pocket(no: 1) in the query (biounit: 1rge.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1B55 4IP None
2 2HRL SIA GAL SIA BGC NGA CEQ None
3 3W2E FAD None
4 3W2E NAD None
5 5U6V 7WY None
6 4XJC TTP None
7 4TWP AXI None
8 5ZCT ANP None
9 4LRJ ANP None
10 3LQV ADE None
11 4XSU UDP None
12 5WNL STU 2.08333
13 4J6W CTP 2.43902
14 6FTB M0E 3.125
15 5WO4 B7V 3.125
16 4Y93 746 3.125
17 1ZD9 GDP 3.125
18 4N02 FNR 3.125
19 4O4F ATP 3.125
20 4O4F IHP 3.125
21 4YNM SAM 3.125
22 5XVG 8FX 4.16667
23 1HV9 UD1 4.16667
24 2DT9 THR 4.16667
25 4U98 ACP 4.16667
26 5TO8 7FM 4.16667
27 3FC2 IBI 4.16667
28 2F57 23D 4.16667
29 3TNF GNP 4.16667
30 4WNP 3RJ 4.16667
31 2FV5 541 4.16667
32 4Z4P SAH 4.81928
33 1S7G NAD 5.20833
34 4CNK FAD 5.20833
35 6GIN IR2 5.20833
36 4E1Z 0MX 5.20833
37 4GJ3 0XP 5.20833
38 3VPD ANP 5.20833
39 1OPK P16 5.20833
40 4I6H 1C8 5.20833
41 1D1T NAD 5.20833
42 1Z6T ADP 5.20833
43 1KNY APC 5.20833
44 4KS7 X4Z 6.25
45 5DEY 59T 6.25
46 2XK9 XK9 6.25
47 5UR1 YY9 6.25
48 3TKI S25 6.25
49 5EOB 5QQ 6.25
50 2HY0 306 6.25
51 2Z7R STU 6.25
52 2PUL ACP 6.25
53 4NW6 2NS 6.25
54 3IU9 T07 6.25
55 2PT9 2MH 6.25
56 4PNE SAH 6.25
57 5B2E MQG 6.25
58 3DAK ANP 6.25
59 2I7C AAT 6.25
60 5USZ SKE 6.25
61 1LRW PQQ 6.25
62 3H8V ATP 6.25
63 4LFL TG6 6.25
64 3LDW ZOL 6.25
65 4EUU BX7 7.29167
66 2R3A SAM 7.29167
67 5FI4 5XV 7.29167
68 4GU5 FAD 7.29167
69 5EYK 5U5 7.29167
70 5TA6 79D 7.29167
71 1BKJ FMN 7.29167
72 4C2V YJA 7.29167
73 3E5A VX6 8.33333
74 1Z08 GNP 8.33333
75 4DXJ 0M9 8.33333
76 4DXJ IPE 8.33333
77 2OFV 242 8.33333
78 5SZH GNP 8.33333
79 1JG9 GLC 8.33333
80 3ORQ ADP 8.33333
81 2H8H H8H 8.33333
82 5K2M ADP 8.33333
83 4BHN BH9 8.33333
84 3UDZ ADP 8.33333
85 1PVN MZP 9.375
86 6EJI UD2 9.375
87 4PNI KQQ 9.375
88 4TMN 0PK 9.375
89 5HCY 60D 9.375
90 4YZN 4K5 9.375
91 1EP2 FAD 9.375
92 2QTZ FAD 9.375
93 3DR4 G4M 10.4167
94 3LXK MI1 10.4167
95 5JGA 6KC 10.4167
96 4QMN DB8 10.4167
97 2WTX UDP 10.4167
98 3SXS PP2 10.4167
99 2WTX VDO 10.4167
100 5LXT ACP 10.4167
101 2GBP BGC 10.4167
102 5VC5 96M 11.4583
103 3H9R TAK 11.4583
104 6C1S EFV 11.4583
105 4FL3 ANP 11.4583
106 5AVF TAU 11.4583
107 4ASE AV9 11.4583
108 4AG8 AXI 11.4583
109 5UFN SAH 11.4583
110 2PVN P63 12.5
111 3FHR P4O 12.5
112 2X2M X2M 12.5
113 1IA9 ANP 12.5
114 1EHI ADP 12.5
115 6GWR FEW 12.5
116 2Y6O 1N1 12.5
117 4A4X JUP 13.5417
118 3WCS MAN NAG GAL 13.5417
119 2E9L PLM 13.5417
120 4IZY 1J2 13.5417
121 5IH9 6BF 13.5417
122 5OMY 9YE 13.5417
123 4R57 ACO 13.5417
124 2Q7D ANP 13.5417
125 1VJY 460 14.5833
126 2JLD AG1 14.5833
127 3KRL KRL 14.5833
128 1PK8 ATP 14.5833
129 4FOU C2E 14.5833
130 3WV1 WHH 15.625
131 4F9C 0SX 15.625
132 1OBD ATP 15.625
133 1YNH SUO 17.7083
134 3WVR AMP 19.7917
135 2PZI AXX 20.8333
136 4IZC 1GZ 20.8333
137 5BV3 M7G 23.9583
138 4NFE BEN 26.0417
139 2XG5 EC5 27.0833
140 2XG5 EC2 27.0833
141 1GTE FAD 29.1667
142 3AHW 2AM 30.2083
APoc FAQ
Feedback