Receptor
PDB id Resolution Class Description Source Keywords
2EA1 1.8 Å EC: 3.1.27.6 CRYSTAL STRUCTURE OF RIBONUCLEASE I FROM ESCHERICHIA COLI COMPLEXED WITH GUANYLYL-2(PRIME),5(PRIME)-GUANOSINE ESCHERICHIA COLI PROTEIN-GPG COMPLEX HYDROLASE
Ref.: CRYSTAL STRUCTURE OF RIBONUCLEASE I FROM ESCHERICHIA COLI COMPLEXED WITH GUANYLYL-2(PRIME),5(PRIME)-GUANOSINE AT 1.80 ANGSTROMS RESOLUTION TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GPG A:250;
 Valid;
 none;
 submit data
628.446 C20 H25 N10 O12 P c1nc2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2EA1 1.8 Å EC: 3.1.27.6 CRYSTAL STRUCTURE OF RIBONUCLEASE I FROM ESCHERICHIA COLI COMPLEXED WITH GUANYLYL-2(PRIME),5(PRIME)-GUANOSINE ESCHERICHIA COLI PROTEIN-GPG COMPLEX HYDROLASE
Ref.: CRYSTAL STRUCTURE OF RIBONUCLEASE I FROM ESCHERICHIA COLI COMPLEXED WITH GUANYLYL-2(PRIME),5(PRIME)-GUANOSINE AT 1.80 ANGSTROMS RESOLUTION TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2EA1 - GPG C20 H25 N10 O12 P c1nc2c(n1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2EA1 - GPG C20 H25 N10 O12 P c1nc2c(n1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2EA1 - GPG C20 H25 N10 O12 P c1nc2c(n1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GPG; Similar ligands found: 106
No: Ligand ECFP6 Tc MDL keys Tc
1 GPG 1 1
2 GDP 0.741573 0.961039
3 GSP 0.73913 0.91358
4 GNH 0.733333 0.948718
5 GP3 0.730337 0.987013
6 5GP 0.724138 0.948052
7 G 0.724138 0.948052
8 GTP 0.717391 0.961039
9 CG2 0.71028 0.95
10 U2G 0.707547 0.95
11 2GP 0.701149 0.948052
12 GMV 0.698925 0.936709
13 GCP 0.691489 0.936709
14 G1R 0.691489 0.948718
15 9GM 0.684211 0.936709
16 GNP 0.684211 0.936709
17 GDC 0.683168 0.974359
18 GKE 0.683168 0.974359
19 GDD 0.683168 0.974359
20 G2R 0.666667 0.925
21 GP2 0.666667 0.925
22 GAV 0.653061 0.925
23 G2P 0.649485 0.925
24 GKD 0.641509 0.974359
25 GMP 0.635294 0.87013
26 ALF 5GP 0.628866 0.857143
27 GFB 0.628571 0.949367
28 GDR 0.628571 0.949367
29 YGP 0.625 0.891566
30 G3A 0.622642 0.987013
31 6CK 0.622642 0.925926
32 GDP BEF 0.622449 0.9
33 Y9Z 0.619048 0.892857
34 G5P 0.616822 0.987013
35 GTP MG 0.616162 0.923077
36 GTG 0.613208 0.95
37 JB2 0.611111 0.949367
38 GDX 0.605505 0.961538
39 GPD 0.605505 0.914634
40 GDP ALF 0.592233 0.857143
41 GDP AF3 0.592233 0.857143
42 3GP 0.591398 0.935065
43 G4P 0.588235 0.948052
44 G3D 0.584158 0.948052
45 0O2 0.580952 0.948052
46 JB3 0.578947 0.9375
47 FEG 0.573913 0.892857
48 ZGP 0.568965 0.882353
49 NGD 0.560345 0.974359
50 KB7 0.56 0.819277
51 2MD 0.559322 0.882353
52 GPC 0.558333 0.892857
53 TPG 0.556452 0.833333
54 FE9 0.544715 0.770833
55 GDP 7MG 0.544643 0.925
56 CAG 0.532787 0.894118
57 MGD 0.532787 0.882353
58 PGD 0.528 0.914634
59 KBD 0.522936 0.864198
60 DBG 0.519685 0.962025
61 MD1 0.515873 0.882353
62 P2G 0.515152 0.873418
63 G C 0.508197 0.91358
64 KBJ 0.504425 0.833333
65 G1G 0.5 0.938272
66 GPX 0.495413 0.910256
67 G4M 0.492647 0.916667
68 25A 0.490741 0.909091
69 GH3 0.490741 0.935897
70 P1G 0.490196 0.8625
71 I2C FE2 CMO CMO 0.484375 0.802198
72 DGI 0.47619 0.888889
73 DGT 0.472222 0.888889
74 BGO 0.471545 0.9375
75 IDP 0.471154 0.935065
76 UCG 0.469697 0.901235
77 25L 0.464912 0.922078
78 G1R G1R 0.462121 0.9375
79 DG 0.460784 0.876543
80 DGP 0.460784 0.876543
81 PGD O 0.458647 0.842697
82 QBQ 0.457944 0.948052
83 UPA 0.455285 0.9
84 IMP 0.45098 0.922078
85 GGM 0.448819 0.914634
86 AKW 0.448 0.903614
87 SGP 0.442308 0.819277
88 R7I 0.440367 0.910256
89 MGP 0.440367 0.925
90 R5I 0.440367 0.910256
91 M7G A2M G 0.43871 0.822222
92 9BG 0.4375 0.987013
93 6G0 0.436364 0.925
94 G7M 0.432692 0.9125
95 APC G U 0.425373 0.9
96 CGP 0.418605 0.880952
97 A22 0.415929 0.922078
98 GTA 0.414634 0.95
99 G2Q 0.413793 0.925
100 CZF 0.409091 0.897436
101 38V 0.408759 0.95
102 AGS 0.40367 0.864198
103 OMC OMU OMG OMG U 0.401361 0.880952
104 35G 0.4 0.922078
105 PCG 0.4 0.922078
106 C2E 0.4 0.935065
Similar Ligands (3D)
Ligand no: 1; Ligand: GPG; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2EA1; Ligand: GPG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2ea1.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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