Receptor
PDB id Resolution Class Description Source Keywords
1CH0 2.3 Å EC: 3.1.27.3 RNASE T1 VARIANT WITH ALTERED GUANINE BINDING SEGMENT ASPERGILLUS ORYZAE RIBONUCLEASE HYDROLASE
Ref.: STRUCTURAL ANALYSIS OF AN RNASE T1 VARIANT WITH AN ALTERED GUANINE BINDING SEGMENT. J.MOL.BIOL. V. 294 1231 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2GP A:105;
C:106;
Valid;
Valid;
none;
none;
submit data
363.221 C10 H14 N5 O8 P c1nc2...
CA A:107;
B:108;
C:109;
C:110;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CL C:111;
Invalid;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RNT 1.9 Å EC: 3.1.27.3 RESTRAINED LEAST-SQUARES REFINEMENT OF THE CRYSTAL STRUCTURE OF THE RIBONUCLEASE T1(ASTERISK)2(PRIME)- G UANYLIC ACID COMPLEX AT 1.9 ANGSTROMS RESOLUTION ASPERGILLUS ORYZAE HYDROLASE(ENDORIBONUCLEASE)
Ref.: RESTRAINED LEAST-SQUARES REFINEMENT OF THE CRYSTAL STRUCTURE OF THE RIBONUCLEASE T1(ASTERISK)2(PRIME)-GUANYLIC ACID COMPLEX AT 1.9 ANGSTROMS RESOLUTION ACTA CRYSTALLOGR.,SECT.B V. 43 548 1987
Members (54)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 6GSP - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
2 1I2G - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
3 1I0X - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
4 1TRP - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
5 1RGK Kd = 49 uM 2AM C10 H14 N5 O7 P c1nc(c2c(n....
6 1I3F - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
7 5GSP - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
8 7RNT - 2AM C10 H14 N5 O7 P c1nc(c2c(n....
9 1FYS - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
10 1LRA - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
11 4HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
12 1LOV - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
13 2RNT - GPG C20 H25 N10 O12 P c1nc2c(n1C....
14 2BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
15 5BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
16 6RNT Kd = 4.3 mM 2AM C10 H14 N5 O7 P c1nc(c2c(n....
17 1RGA - G C10 H14 N5 O8 P c1nc2c(n1C....
18 1RLS - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
19 1LOW - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
20 2BIR - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
21 1I2F - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
22 1RGC - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
23 1GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1C....
24 1DET Kd = 50 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
25 2HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
26 1HYF - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
27 7GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1C....
28 3GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1C....
29 3HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
30 1LOY - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
31 1HZ1 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
32 5BIR Kd = 255 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
33 1FZU - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
34 1BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
35 2GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1C....
36 1B2M - G U34 n/a n/a
37 1BVI - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
38 1I2E - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
39 1G02 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
40 1BIR Kd = 138 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
41 1RGL Kd = 37 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
42 1RNT Kd = 6.5 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
43 3BIR Kd = 112 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
44 1CH0 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
45 1I3I - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
46 4GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1C....
47 2AAD - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
48 1TRQ - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
49 4BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
50 5HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
51 3BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
52 3SYU Kd = 50 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
53 1I0V - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
54 1RHL - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
70% Homology Family (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6GSP - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
2 1I2G - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
3 1I0X - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
4 1TRP - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
5 1RGK Kd = 49 uM 2AM C10 H14 N5 O7 P c1nc(c2c(n....
6 1I3F - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
7 5GSP - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
8 7RNT - 2AM C10 H14 N5 O7 P c1nc(c2c(n....
9 1FYS - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
10 1LRA - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
11 4HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
12 1LOV - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
13 2RNT - GPG C20 H25 N10 O12 P c1nc2c(n1C....
14 2BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
15 5BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
16 6RNT Kd = 4.3 mM 2AM C10 H14 N5 O7 P c1nc(c2c(n....
17 1RGA - G C10 H14 N5 O8 P c1nc2c(n1C....
18 1RLS - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
19 1LOW - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
20 2BIR - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
21 1I2F - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
22 1RGC - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
23 1GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1C....
24 1DET Kd = 50 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
25 2HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
26 1HYF - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
27 7GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1C....
28 3GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1C....
29 3HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
30 1LOY - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
31 1HZ1 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
32 5BIR Kd = 255 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
33 1FZU - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
34 1BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
35 2GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1C....
36 1B2M - G U34 n/a n/a
37 1BVI - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
38 1I2E - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
39 1G02 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
40 1BIR Kd = 138 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
41 1RGL Kd = 37 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
42 1RNT Kd = 6.5 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
43 3BIR Kd = 112 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
44 1CH0 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
45 1I3I - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
46 4GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1C....
47 2AAD - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
48 1TRQ - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
49 4BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
50 5HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
51 3BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
52 3SYU Kd = 50 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
53 1I0V - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
54 1RHL - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
55 1RDS - GPC C19 H24 F N8 O11 P c1nc2c(n1C....
56 1RMS - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
57 1FUT - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
50% Homology Family (60)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6GSP - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
2 1I2G - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
3 1I0X - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
4 1TRP - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
5 1RGK Kd = 49 uM 2AM C10 H14 N5 O7 P c1nc(c2c(n....
6 1I3F - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
7 5GSP - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
8 7RNT - 2AM C10 H14 N5 O7 P c1nc(c2c(n....
9 1FYS - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
10 1LRA - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
11 4HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
12 1LOV - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
13 2RNT - GPG C20 H25 N10 O12 P c1nc2c(n1C....
14 2BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
15 5BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
16 6RNT Kd = 4.3 mM 2AM C10 H14 N5 O7 P c1nc(c2c(n....
17 1RGA - G C10 H14 N5 O8 P c1nc2c(n1C....
18 1RLS - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
19 1LOW - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
20 2BIR - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
21 1I2F - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
22 1RGC - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
23 1GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1C....
24 1DET Kd = 50 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
25 2HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
26 1HYF - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
27 7GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1C....
28 3GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1C....
29 3HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
30 1LOY - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
31 1HZ1 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
32 5BIR Kd = 255 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
33 1FZU - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
34 1BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
35 2GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1C....
36 1B2M - G U34 n/a n/a
37 1BVI - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
38 1I2E - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
39 1G02 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
40 1BIR Kd = 138 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
41 1RGL Kd = 37 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
42 1RNT Kd = 6.5 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
43 3BIR Kd = 112 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
44 1CH0 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
45 1I3I - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
46 4GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1C....
47 2AAD - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
48 1TRQ - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
49 4BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
50 5HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
51 3BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
52 3SYU Kd = 50 uM 2GP C10 H14 N5 O8 P c1nc2c(n1C....
53 1I0V - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
54 1RHL - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
55 3AGO - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
56 3AHW - 2AM C10 H14 N5 O7 P c1nc(c2c(n....
57 3AGN - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
58 1RDS - GPC C19 H24 F N8 O11 P c1nc2c(n1C....
59 1RMS - 3GP C10 H14 N5 O8 P c1nc2c(n1C....
60 1FUT - 2GP C10 H14 N5 O8 P c1nc2c(n1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2GP; Similar ligands found: 86
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 GDD 0.535354 0.948052
21 GKE 0.535354 0.948052
22 GDC 0.535354 0.948052
23 GCP 0.532609 0.935065
24 G1R 0.532609 0.947368
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 SGP 0.517241 0.860759
30 CG2 0.513761 0.924051
31 U2G 0.509259 0.924051
32 DGP 0.505747 0.922078
33 DG 0.505747 0.922078
34 BEF GDP 0.505263 0.853659
35 GTP MG 0.505263 0.886076
36 G2R 0.5 0.923077
37 GKD 0.5 0.948052
38 GCP G 0.5 0.897436
39 GPX 0.494845 0.959459
40 GDP AF3 0.489796 0.853659
41 GDP ALF 0.489796 0.853659
42 DGI 0.48913 0.935065
43 2AM 0.487805 0.905405
44 GFB 0.485437 0.923077
45 GDR 0.485437 0.923077
46 G G 0.485437 0.910256
47 GPC 0.482456 0.86747
48 G C 0.482143 0.8875
49 G3A 0.480769 0.935065
50 YGP 0.480392 0.865854
51 G U34 0.477477 0.876543
52 G5P 0.47619 0.935065
53 Y9Z 0.475728 0.890244
54 JB2 0.471698 0.923077
55 G G U 0.471698 0.922078
56 GTG 0.471154 0.9
57 DGT 0.46875 0.935065
58 GPD 0.46729 0.888889
59 GDX 0.46729 0.935065
60 JB3 0.459459 0.911392
61 G G G RPC 0.45614 0.8625
62 BGO 0.455357 0.911392
63 G A A A 0.452174 0.910256
64 DG DG 0.45098 0.876543
65 G1G 0.449153 0.888889
66 GDP 7MG 0.448598 0.875
67 C2E 0.446809 0.907895
68 35G 0.446809 0.92
69 PCG 0.446809 0.92
70 FEG 0.442478 0.845238
71 5GP 5GP 0.442105 0.87013
72 G G G C 0.433333 0.876543
73 2MD 0.431034 0.857143
74 GGM 0.431034 0.888889
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 G C C C 0.416 0.8875
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 OMC OMU OMG OMG U 0.402985 0.833333
85 A2P 0.402174 0.891892
86 DBG 0.4 0.911392
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RNT; Ligand: 2GP; Similar sites found: 10
This union binding pocket(no: 1) in the query (biounit: 1rnt.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 3DGY 2GP 1.197e-06 0.62686
2 3LQV ADE 0.005034 0.44133
3 4GYI ADP 0.008829 0.41032
4 4AXD ANP 0.01309 0.41024
5 2WOJ ADP ALF 0.008751 0.40591
6 2XK9 XK9 0.0158 0.40434
7 2X4Z X4Z 0.01621 0.40271
8 4DXJ 0M9 0.01321 0.40199
9 3ZS9 ADP ALF 0.00919 0.40193
10 4DXJ IPE 0.01603 0.40064
Feedback