-->
Receptor
PDB id Resolution Class Description Source Keywords
1FUT 2 Å EC: 3.1.27.3 CRYSTAL STRUCTURES OF RIBONUCLEASE F1 OF FUSARIUM MONILIFORM FREE FORM AND IN COMPLEX WITH 2'GMP GIBBERELLA FUJIKUROI HYDROLASE(ENDORIBONUCLEASE)
Ref.: CRYSTAL STRUCTURES OF RIBONUCLEASE F1 OF FUSARIUM MONILIFORME IN ITS FREE FORM AND IN COMPLEX WITH 2' J.MOL.BIOL. V. 230 979 1993
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2GP A:108;
Valid;
none;
submit data
363.221 C10 H14 N5 O8 P c1nc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FUT 2 Å EC: 3.1.27.3 CRYSTAL STRUCTURES OF RIBONUCLEASE F1 OF FUSARIUM MONILIFORM FREE FORM AND IN COMPLEX WITH 2'GMP GIBBERELLA FUJIKUROI HYDROLASE(ENDORIBONUCLEASE)
Ref.: CRYSTAL STRUCTURES OF RIBONUCLEASE F1 OF FUSARIUM MONILIFORME IN ITS FREE FORM AND IN COMPLEX WITH 2' J.MOL.BIOL. V. 230 979 1993
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1FUT - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
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(n1[....
2 1TRP - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
3 5GSP - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
4 7RNT - 2AM C10 H14 N5 O7 P c1nc(c2c(n....
5 1FYS - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
6 1LOV - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
7 6RNT Kd = 4.3 mM 2AM C10 H14 N5 O7 P c1nc(c2c(n....
8 1RGA - G C10 H14 N5 O8 P c1nc2c(n1[....
9 1RLS - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
10 1LOW - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
11 1I2F - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
12 1DET Kd = 50 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
13 1HZ1 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
14 5BIR Kd = 255 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
15 1FZU - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
16 1B2M - G U34 n/a n/a
17 1BVI - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
18 1I2E - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
19 1G02 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
20 1BIR Kd = 138 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
21 1RNT Kd = 6.5 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
22 3BIR Kd = 112 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
23 1CH0 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
24 1I3I - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
25 4GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
26 2AAD - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
27 5HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
28 3BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
29 3SYU Kd = 50 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
30 1I0V - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
31 1RHL - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
32 1I2G - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
33 1I0X - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
34 1RGK Kd = 49 uM 2AM C10 H14 N5 O7 P c1nc(c2c(n....
35 1I3F - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
36 1LRA - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
37 4HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
38 2RNT - GPG C20 H25 N10 O12 P c1nc2c(n1[....
39 2BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
40 5BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
41 2BIR - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
42 1RGC - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
43 1GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
44 2HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
45 1HYF - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
46 7GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
47 3GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
48 3HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
49 1LOY - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
50 1BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
51 2GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
52 1RGL Kd = 37 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
53 1TRQ - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
54 4BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
55 1RMS - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
56 1RDS - GPC C19 H24 F N8 O11 P c1nc2c(n1[....
57 1FUT - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
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(n1[....
2 1TRP - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
3 5GSP - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
4 7RNT - 2AM C10 H14 N5 O7 P c1nc(c2c(n....
5 1FYS - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
6 1LOV - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
7 6RNT Kd = 4.3 mM 2AM C10 H14 N5 O7 P c1nc(c2c(n....
8 1RGA - G C10 H14 N5 O8 P c1nc2c(n1[....
9 1RLS - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
10 1LOW - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
11 1I2F - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
12 1DET Kd = 50 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
13 1HZ1 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
14 5BIR Kd = 255 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
15 1FZU - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
16 1B2M - G U34 n/a n/a
17 1BVI - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
18 1I2E - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
19 1G02 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
20 1BIR Kd = 138 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
21 1RNT Kd = 6.5 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
22 3BIR Kd = 112 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
23 1CH0 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
24 1I3I - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
25 4GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
26 2AAD - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
27 5HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
28 3BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
29 3SYU Kd = 50 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
30 1I0V - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
31 1RHL - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
32 1I2G - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
33 1I0X - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
34 1RGK Kd = 49 uM 2AM C10 H14 N5 O7 P c1nc(c2c(n....
35 1I3F - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
36 1LRA - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
37 4HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
38 2RNT - GPG C20 H25 N10 O12 P c1nc2c(n1[....
39 2BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
40 5BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
41 2BIR - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
42 1RGC - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
43 1GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
44 2HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
45 1HYF - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
46 7GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
47 3GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
48 3HOH - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
49 1LOY - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
50 1BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
51 2GSP - SGP C10 H12 N5 O6 P S c1nc2c(n1[....
52 1RGL Kd = 37 uM 2GP C10 H14 N5 O8 P c1nc2c(n1[....
53 1TRQ - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
54 4BU4 - 2GP C10 H14 N5 O8 P c1nc2c(n1[....
55 1RMS - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
56 1RDS - GPC C19 H24 F N8 O11 P c1nc2c(n1[....
57 3AGO - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
58 3AHW - 2AM C10 H14 N5 O7 P c1nc(c2c(n....
59 3AGN - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
60 1FUT - 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 : 1FUT; Ligand: 2GP; Similar sites found with APoc: 163
This union binding pocket(no: 1) in the query (biounit: 1fut.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5DEY 59T None
2 3OU2 SAH None
3 1VJY 460 None
4 5XVG 8FX None
5 4XZ3 COA None
6 1B55 4IP None
7 2XVD AS6 None
8 4XYM COA None
9 4C2V YJA None
10 5M58 SAH None
11 4OTH DRN None
12 1S7G NAD None
13 2Y6O 1N1 None
14 5EYK 5U5 None
15 2WC1 FMN None
16 5FBN 5WF None
17 6E2B PT7 None
18 3GWZ SAH None
19 4XJC TTP 1.88679
20 2VN9 GVD 1.88679
21 3LQV ADE 2.83019
22 6GIN IR2 2.83019
23 5O96 SAM 2.83019
24 3KV8 FAH 2.83019
25 1OFH ADP 2.83019
26 2HHJ 3PG 2.83019
27 2HHJ DG2 2.83019
28 2PVN P63 2.83019
29 5QIN J2V 2.83019
30 4GYI ADP 3.77358
31 4D0G GTP 3.77358
32 2F57 23D 3.77358
33 1XFF GLU 3.77358
34 3KRL KRL 3.77358
35 6FTB M0E 3.77358
36 6FL8 ADP 3.77358
37 6FL8 TIY 3.77358
38 5YJI 8WO 3.77358
39 6F5W KG1 3.77358
40 4EZW ASN ARG LEU LEU LEU THR GLY 3.77358
41 3DLS ADP 3.77358
42 5YJF SAH 3.87324
43 1OT6 HC4 4.71698
44 2OFV 242 4.71698
45 4PNI KQQ 4.71698
46 3FHR P4O 4.71698
47 5THZ SAH 4.71698
48 4DQ2 BTX 4.71698
49 2JLD AG1 4.71698
50 3F7Z 34O 4.71698
51 4Z4P SAH 4.71698
52 3BMN NAP 4.71698
53 3JQG NAP 4.71698
54 5MGZ SAH 4.71698
55 5WHU SIA GAL GLC 4.71698
56 2WD7 NAP 4.71698
57 5THY SAH 4.71698
58 3JQA NAP 4.71698
59 4CM9 NAP 4.71698
60 4CM4 NAP 4.71698
61 3JQ9 NAP 4.71698
62 3JQB NAP 4.71698
63 3JQ7 NAP 4.71698
64 4CMI NAP 4.71698
65 4CLR NAP 4.71698
66 3JQ8 NAP 4.71698
67 4CM8 NAP 4.71698
68 2H5Z CTO 4.71698
69 1L6O SER LEU LYS LEU MET THR THR VAL 5.26316
70 1RJD SAM 5.66038
71 5JGL SAM 5.66038
72 2JB2 PHE 5.66038
73 2JB2 FAD 5.66038
74 4A4X JUP 5.66038
75 1ZX5 LFR 5.66038
76 2V2V V12 5.66038
77 5K9B FMN 5.66038
78 3KO8 NAD 5.66038
79 2ZWA SAH 5.66038
80 5A1T OXM 5.66038
81 6E48 4OA 5.66038
82 1GY8 NAD 5.66038
83 2WOJ ADP ALF 5.66038
84 4EUE NAI 5.66038
85 1BKJ FMN 5.66038
86 2R3A SAM 5.66038
87 3SM2 478 6.60377
88 2Z3Y F2N 6.60377
89 1QM5 PLP 6.60377
90 6GWR FEW 6.60377
91 5TUF FAD 6.60377
92 4NBW NAD 6.60377
93 1TZD ADP 6.60377
94 3A4V PYR 6.60377
95 3A4V NAD 6.60377
96 3G2O SAM 6.60377
97 4A6D SAM 6.60377
98 5JJR 68E 6.60377
99 5K5M 68T 6.60377
100 5GQX GLC GLC GLC GLC 6.60377
101 1VYP TNF 6.60377
102 1XDY MTE 6.71141
103 4NFE BEN 7.54717
104 5VC5 96M 7.54717
105 4H2D FMN 7.54717
106 1YY5 FAD 7.54717
107 1RSG FAD 7.54717
108 2ZRU FMN 7.54717
109 3E5A VX6 7.54717
110 5MPT SAH 7.54717
111 5V22 SAH 7.54717
112 4FMU 0UM 7.54717
113 4K39 SAM 7.54717
114 5WRI A3P 7.54717
115 2J4D FAD 8.49057
116 2VVL FAD 8.49057
117 4KS7 X4Z 8.49057
118 5O1I 9GH 8.49057
119 3WVR AMP 8.49057
120 4I6H 1C8 8.49057
121 4IX4 ADP 8.49057
122 4YNM SAM 8.49057
123 3HCH RSM 9.43396
124 4PLT NAI 9.43396
125 1EP2 ORO 9.43396
126 5WA0 MSS 9.43396
127 5YVT NAI 9.43396
128 3DGY 2GP 10.3093
129 2DXU BT5 10.3774
130 2Y6Q I7T 10.3774
131 3QVP FAD 10.3774
132 1WPY BTN 10.3774
133 4EUU BX7 10.3774
134 2GOU FMN 10.3774
135 6GUE FB8 10.3774
136 4CFU 2WC 10.3774
137 1RQJ RIS 10.3774
138 3JSX FAD 10.3774
139 1TL2 NDG 10.3774
140 1EM6 NBG 11.3208
141 5ERR ADP 11.3208
142 2XK9 XK9 11.3208
143 5XNC N4P 11.3208
144 5M1T C2E 11.3208
145 4ASE AV9 13.2075
146 1OPK P16 13.2075
147 1DJN FMN 13.2075
148 4U0I 0LI 13.2075
149 3KRO DST 15.0943
150 3KRO IPE 15.0943
151 6D6Y SAH 16.0377
152 1EU8 TRE 16.9811
153 5NKB 8ZT 16.9811
154 1SOX MTE 16.9811
155 5WRJ A3P 16.9811
156 4AZW ATP 16.9811
157 2A9D MTE 16.9811
158 5WO4 B7V 20.7547
159 1Y57 MPZ 21.6981
160 3SXS PP2 22.6415
161 6GAS FAD 26.4151
162 1ZXM ANP 27.3585
163 4CTA ATP 29.2453
APoc FAQ
Feedback