Receptor
PDB id Resolution Class Description Source Keywords
1GOY 2 Å EC: 3.1.27.3 HYDROLASE(ENDORIBONUCLEASE)RIBONUCLEASE BI(G SPECIFIC ENDONU (E.C.3.1.27.-) COMPLEXED WITH GUANOSINE-3'-PHOSPHATE (3'-GM BACILLUS INTERMEDIUS HYDROLASE ENDORIBONUCLEASE NUCLEASE
Ref.: THE STRUCTURE OF SUBSTRATE-FREE MICROBIAL RIBONUCLE BINASE AND OF ITS COMPLEXES WITH 3'GMP AND SULFATE ACTA CRYSTALLOGR.,SECT.D V. 58 744 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3GP A:110;
Valid;
none;
submit data
363.221 C10 H14 N5 O8 P c1nc2...
SO4 W:110;
W:111;
W:99;
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
1GOY 2 Å EC: 3.1.27.3 HYDROLASE(ENDORIBONUCLEASE)RIBONUCLEASE BI(G SPECIFIC ENDONU (E.C.3.1.27.-) COMPLEXED WITH GUANOSINE-3'-PHOSPHATE (3'-GM BACILLUS INTERMEDIUS HYDROLASE ENDORIBONUCLEASE NUCLEASE
Ref.: THE STRUCTURE OF SUBSTRATE-FREE MICROBIAL RIBONUCLE BINASE AND OF ITS COMPLEXES WITH 3'GMP AND SULFATE ACTA CRYSTALLOGR.,SECT.D V. 58 744 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1GOY - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1BRN - DC DG DA DC n/a n/a
2 1RNB - DG DC n/a n/a
3 1GOY - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1BRN - DC DG DA DC n/a n/a
2 1RNB - DG DC n/a n/a
3 1GOY - 3GP C10 H14 N5 O8 P c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3GP; Similar ligands found: 103
No: Ligand ECFP6 Tc MDL keys Tc
1 3GP 1 1
2 G3D 0.753086 0.959459
3 2GP 0.733333 0.959459
4 GMP 0.704225 0.853333
5 G4P 0.674419 0.959459
6 5GP 0.65 0.959459
7 G 0.65 0.959459
8 0O2 0.644444 0.959459
9 GDP 0.611765 0.946667
10 GNH 0.604651 0.934211
11 G G 0.602151 0.909091
12 GP3 0.6 0.922078
13 GDP MG 0.597701 0.897436
14 GSP 0.595506 0.898734
15 GP2 0.593023 0.910256
16 GPG 0.591398 0.935065
17 GTP 0.590909 0.946667
18 GDP BEF 0.590909 0.875
19 G2P 0.577778 0.910256
20 G U34 0.576923 0.8875
21 ALF 5GP 0.573034 0.864198
22 GMV 0.573034 0.922078
23 P2G 0.571429 0.932432
24 BEF GDP 0.571429 0.864198
25 GDC 0.56701 0.935065
26 GDD 0.56701 0.935065
27 GKE 0.56701 0.935065
28 G1R 0.566667 0.934211
29 GCP 0.566667 0.922078
30 G C 0.566038 0.898734
31 GAV 0.565217 0.910256
32 G A A A 0.560748 0.922078
33 GNP 0.56044 0.922078
34 G G U 0.56 0.934211
35 P1G 0.55814 0.92
36 GTP MG 0.554348 0.897436
37 GCP G 0.548387 0.909091
38 GDP ALF 0.536842 0.864198
39 GDP AF3 0.536842 0.864198
40 G2R 0.53125 0.910256
41 SGP 0.517241 0.871795
42 GFB 0.514852 0.910256
43 GDR 0.514852 0.910256
44 GKD 0.514563 0.935065
45 U A G G 0.513514 0.909091
46 YGP 0.51 0.876543
47 G3A 0.509804 0.922078
48 6CK 0.509804 0.8875
49 BGO 0.509259 0.898734
50 U2G 0.509259 0.911392
51 G G G RPC 0.509091 0.897436
52 DG 0.505747 0.909091
53 DGP 0.505747 0.909091
54 GH3 0.505263 0.946667
55 Y9Z 0.504951 0.878049
56 G5P 0.504854 0.922078
57 APC G U 0.504425 0.909091
58 GTG 0.5 0.8875
59 CG2 0.5 0.911392
60 JB2 0.5 0.910256
61 3AM 0.5 0.90411
62 GPD 0.495238 0.876543
63 GDX 0.495238 0.922078
64 GPX 0.494845 0.92
65 GDP 7MG 0.490385 0.886076
66 DGI 0.48913 0.897436
67 JB3 0.486239 0.898734
68 G G G C 0.482759 0.8875
69 GGM 0.482143 0.876543
70 A G C C 0.478632 0.886076
71 PCG 0.478261 0.932432
72 35G 0.478261 0.932432
73 C2E 0.478261 0.92
74 A G U 0.47619 0.8875
75 5GP 5GP 0.473118 0.906667
76 2MD 0.469027 0.845238
77 DGT 0.46875 0.897436
78 FEG 0.468468 0.855422
79 NGD 0.468468 0.910256
80 DG DG 0.465347 0.8875
81 ZGP 0.464286 0.845238
82 G C C C 0.46281 0.898734
83 GPC 0.456897 0.878049
84 MGD 0.456897 0.845238
85 U G A 0.449612 0.8875
86 CAG 0.444444 0.835294
87 PGD O 0.442623 0.806818
88 I2C FE2 CMO CMO 0.440678 0.786517
89 G1R G1R 0.434426 0.875
90 TPG 0.434426 0.797753
91 DBG 0.434426 0.898734
92 UCG 0.430894 0.910256
93 MD1 0.429752 0.845238
94 PGD 0.429752 0.876543
95 G1G 0.425 0.876543
96 FE9 0.421488 0.755319
97 1YD 0.416667 0.92
98 4BW 0.416667 0.92
99 3ZE 0.410526 0.858974
100 CGP 0.410256 0.888889
101 DC DG 0.40678 0.865854
102 A3P 0.402174 0.891892
103 G4M 0.401515 0.857143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GOY; Ligand: 3GP; Similar sites found: 18
This union binding pocket(no: 1) in the query (biounit: 1goy.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2HRL SIA GAL SIA BGC NGA CEQ 0.006317 0.42183 2.58621
2 2FUE M1P 0.02207 0.41007 2.58621
3 2F57 23D 0.001445 0.40362 2.58621
4 1IOW PHY 0.02672 0.41705 3.44828
5 3RAB GNP 0.03321 0.40336 4.31034
6 3B6O TMP 0.007741 0.40175 5.17241
7 5GRF ADP 0.003395 0.46152 6.03448
8 2FWP ICR 0.0197 0.40168 6.03448
9 1ZX5 LFR 0.009322 0.40141 6.89655
10 4DQ2 BTX 0.02471 0.41667 8.62069
11 2OFV 242 0.0481 0.40448 9.48276
12 3AHW 2AM 0.0005689 0.416 9.64912
13 3S6X SIA GAL BGC 0.0086 0.40785 12.931
14 2WTX UDP 0.0465 0.40616 23.2759
15 2WTX VDO 0.04836 0.40616 23.2759
16 2ZE7 AMP 0.03496 0.40304 23.2759
17 2ZE7 DST 0.03703 0.40304 23.2759
18 3DGY 2GP 0.00000000003639 0.82072 28.866
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