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 ATOMIC 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 ATOMIC 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: 95
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 GDP MG 0.527473 0.886076
27 GNP 0.526882 0.935065
28 ALF 5GP 0.521739 0.853659
29 GDP BEF 0.521739 0.864198
30 SGP 0.517241 0.860759
31 CG2 0.513761 0.924051
32 U2G 0.509259 0.924051
33 DGP 0.505747 0.922078
34 DG 0.505747 0.922078
35 GTP MG 0.505263 0.886076
36 GH3 0.505263 0.96
37 BEF GDP 0.505263 0.853659
38 G G 0.50505 0.897436
39 G2R 0.5 0.923077
40 GCP G 0.5 0.897436
41 GKD 0.5 0.948052
42 GPX 0.494845 0.959459
43 GDP ALF 0.489796 0.853659
44 GDP AF3 0.489796 0.853659
45 DGI 0.48913 0.935065
46 2AM 0.487805 0.905405
47 GFB 0.485437 0.923077
48 GDR 0.485437 0.923077
49 GPC 0.482456 0.86747
50 G C 0.482143 0.8875
51 6CK 0.480769 0.9
52 G3A 0.480769 0.935065
53 YGP 0.480392 0.865854
54 G U34 0.477477 0.876543
55 G5P 0.47619 0.935065
56 Y9Z 0.475728 0.890244
57 G G U 0.471698 0.922078
58 JB2 0.471698 0.923077
59 GTG 0.471154 0.9
60 DGT 0.46875 0.935065
61 GDX 0.46729 0.935065
62 GPD 0.46729 0.888889
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 35G 0.446809 0.92
71 C2E 0.446809 0.907895
72 PCG 0.446809 0.92
73 FEG 0.442478 0.845238
74 5GP 5GP 0.442105 0.87013
75 ZGP 0.438596 0.835294
76 U A G G 0.435897 0.897436
77 G G G C 0.433333 0.876543
78 2MD 0.431034 0.857143
79 GGM 0.431034 0.888889
80 UCG 0.430894 0.898734
81 NGD 0.429825 0.923077
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 4BW 0.40367 0.907895
92 1YD 0.40367 0.907895
93 OMC OMU OMG OMG U 0.402985 0.833333
94 A2P 0.402174 0.891892
95 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: 67
This union binding pocket(no: 1) in the query (biounit: 1rge.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2HRL SIA GAL SIA BGC NGA CEQ 0.005593 0.42423 None
2 3W2E NAD 0.03007 0.42383 None
3 3W2E FAD 0.03007 0.42383 None
4 4XJC TTP 0.01426 0.41852 None
5 4LRJ ANP 0.01405 0.41215 None
6 3LQV ADE 0.01633 0.40357 None
7 4J6W CTP 0.03571 0.40709 2.43902
8 4N02 FNR 0.03003 0.4062 3.125
9 4YNM SAM 0.02319 0.40163 3.125
10 2X4Z X4Z 0.003583 0.46463 4.16667
11 2F57 23D 0.001722 0.45471 4.16667
12 3KRR DQX 0.02959 0.43487 4.16667
13 1HV9 UD1 0.01923 0.42156 4.16667
14 2DT9 THR 0.007896 0.41491 4.16667
15 3TNF GNP 0.03766 0.40319 4.16667
16 1S7G NAD 0.0159 0.42715 5.20833
17 4CNK FAD 0.03088 0.42206 5.20833
18 3VPD ANP 0.01917 0.41191 5.20833
19 3JDW ORN 0.0165 0.40878 5.20833
20 4GJ3 0XP 0.04712 0.40156 5.20833
21 2XK9 XK9 0.01057 0.43955 6.25
22 3TKI S25 0.02871 0.42979 6.25
23 5EOB 5QQ 0.04138 0.42058 6.25
24 5UR1 YY9 0.02928 0.41362 6.25
25 3IU9 T07 0.04162 0.41142 6.25
26 2PT9 2MH 0.0405 0.40948 6.25
27 4PNE SAH 0.02472 0.40844 6.25
28 1LRW PQQ 0.02461 0.40411 6.25
29 3H8V ATP 0.02541 0.40222 6.25
30 4LFL TG6 0.01752 0.4011 6.25
31 4EUU BX7 0.005773 0.44421 7.29167
32 2R3A SAM 0.005244 0.43582 7.29167
33 5GRF ADP 0.01141 0.43238 7.29167
34 5FI4 5XV 0.0118 0.42625 7.29167
35 4GU5 FAD 0.02024 0.41943 7.29167
36 4C2V YJA 0.02914 0.41252 7.29167
37 4DXJ 0M9 0.02719 0.41346 8.33333
38 4DXJ IPE 0.03007 0.41341 8.33333
39 2OFV 242 0.04077 0.4087 8.33333
40 5SZH GNP 0.02861 0.40816 8.33333
41 2XVD AS6 0.03207 0.40655 8.33333
42 2H8H H8H 0.02376 0.40126 8.33333
43 5K2M ADP 0.03517 0.40098 8.33333
44 3UDZ ADP 0.0267 0.40007 8.33333
45 3OOI SAM 0.0229 0.40469 9.375
46 2QTZ FAD 0.02548 0.40006 9.375
47 2WTX UDP 0.03592 0.41261 10.4167
48 2WTX VDO 0.04381 0.40558 10.4167
49 5VC5 96M 0.008434 0.43825 11.4583
50 3H9R TAK 0.003067 0.43594 11.4583
51 4N70 2HX 0.04941 0.41366 11.4583
52 4ASE AV9 0.03037 0.40585 11.4583
53 4BKJ STI 0.006237 0.44923 12.5
54 2X2M X2M 0.01597 0.41731 12.5
55 1EHI ADP 0.01845 0.40846 12.5
56 3PE2 E1B 0.02843 0.42514 13.5417
57 3KRL KRL 0.01918 0.41268 14.5833
58 3WV1 WHH 0.01358 0.44358 15.625
59 4F9C 0SX 0.01323 0.41214 15.625
60 1OBD ATP 0.0149 0.40589 15.625
61 1YNH SUO 0.02718 0.40822 17.7083
62 3WVR AMP 0.01194 0.41369 19.7917
63 4IZC 1GZ 0.02856 0.41557 20.8333
64 5BV3 M7G 0.01895 0.40873 23.9583
65 2XG5 EC5 0.007925 0.40988 27.0833
66 2XG5 EC2 0.007925 0.40988 27.0833
67 3AHW 2AM 0.0005695 0.47833 30.2083
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