Receptor
PDB id Resolution Class Description Source Keywords
1DEK 2 Å EC: 2.7.4.13 DEOXYNUCLEOSIDE MONOPHOSPHATE KINASE COMPLEXED WITH DEOXY-GM ENTEROBACTERIA PHAGE T4 TRANSFERASE PHOSPHOTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 DEOXYNUCLEOTI WITH ITS SUBSTRATES DGMP AND ATP. EMBO J. V. 15 3487 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DGP A:301;
B:301;
Valid;
Valid;
none;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc2...
MG A:300;
B:300;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DEK 2 Å EC: 2.7.4.13 DEOXYNUCLEOSIDE MONOPHOSPHATE KINASE COMPLEXED WITH DEOXY-GM ENTEROBACTERIA PHAGE T4 TRANSFERASE PHOSPHOTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 DEOXYNUCLEOTI WITH ITS SUBSTRATES DGMP AND ATP. EMBO J. V. 15 3487 1996
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DEL - DGP C10 H14 N5 O7 P c1nc2c(n1C....
2 1DEK - DGP C10 H14 N5 O7 P c1nc2c(n1C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DEL - DGP C10 H14 N5 O7 P c1nc2c(n1C....
2 1DEK - DGP C10 H14 N5 O7 P c1nc2c(n1C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DEL - DGP C10 H14 N5 O7 P c1nc2c(n1C....
2 1DEK - DGP C10 H14 N5 O7 P c1nc2c(n1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DGP; Similar ligands found: 83
No: Ligand ECFP6 Tc MDL keys Tc
1 DGP 1 1
2 DG 1 1
3 DGI 0.815789 0.986842
4 DGT 0.775 0.986842
5 DG DG 0.693182 0.925
6 DI 0.62963 0.973333
7 5GP 0.60241 0.922078
8 G 0.60241 0.922078
9 CGP 0.596154 0.925926
10 DC DG 0.575472 0.902439
11 GDP 0.516484 0.910256
12 D5M 0.511905 0.894737
13 DA 0.511905 0.894737
14 3GP 0.505747 0.909091
15 2GP 0.505747 0.922078
16 GP3 0.505495 0.8875
17 G3D 0.505263 0.922078
18 GTP 0.5 0.910256
19 GP2 0.5 0.924051
20 DU DU DU DU BRU DG DU 0.495935 0.850575
21 G4P 0.494845 0.922078
22 GNH 0.494624 0.898734
23 P2G 0.494382 0.871795
24 G2P 0.489583 0.924051
25 GMP 0.487805 0.797468
26 ALF 5GP 0.484211 0.833333
27 GMV 0.484211 0.8875
28 P1G 0.483516 0.884615
29 G2R 0.48 0.948718
30 GAV 0.479592 0.876543
31 GCP 0.479167 0.911392
32 G1R 0.479167 0.898734
33 0O2 0.475248 0.922078
34 GNP 0.474227 0.8875
35 GSP 0.474227 0.865854
36 GDP MG 0.473684 0.864198
37 3PD UM3 0.473214 0.878049
38 DOI 0.47191 0.87013
39 DG DA DC DG 0.469697 0.891566
40 DG DC 0.466667 0.9375
41 DA DC DG DA 0.466165 0.891566
42 GPG 0.460784 0.876543
43 GPX 0.46 0.909091
44 GDP ALF 0.455446 0.833333
45 BEF GDP 0.454545 0.833333
46 GTP MG 0.454545 0.864198
47 CF2 0.451613 0.811765
48 3ZE 0.451613 0.897436
49 DA DU DG DA 0.451327 0.845238
50 GCP G 0.45 0.875
51 GPD 0.449541 0.890244
52 Y9Z 0.443396 0.869048
53 GDD 0.443396 0.876543
54 GDC 0.443396 0.876543
55 GKE 0.443396 0.876543
56 GDP AF3 0.441176 0.833333
57 DG DT DC 0.439024 0.860465
58 G3A 0.435185 0.8875
59 YGP 0.433962 0.845238
60 DC DG DA DC 0.431818 0.91358
61 G5P 0.431193 0.8875
62 SGP 0.430108 0.817073
63 JB2 0.427273 0.876543
64 G G U 0.427273 0.898734
65 GDR 0.425926 0.876543
66 G G 0.425926 0.8875
67 GTG 0.425926 0.855422
68 GFB 0.425926 0.876543
69 DAT 0.425532 0.896104
70 DT DA DC DG 0.42069 0.870588
71 DC DG DT DA 0.417808 0.870588
72 GKD 0.414414 0.876543
73 U2G 0.413793 0.855422
74 BGO 0.413793 0.865854
75 GDX 0.410714 0.8875
76 DTP 0.408163 0.896104
77 CG2 0.40678 0.855422
78 GDP 7MG 0.405405 0.853659
79 JB3 0.405172 0.865854
80 8OG 0.404255 0.855422
81 NGD 0.401709 0.876543
82 FEG 0.401709 0.869048
83 G A A A 0.4 0.864198
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DEK; Ligand: DGP; Similar sites found: 32
This union binding pocket(no: 1) in the query (biounit: 1dek.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 3KO0 TFP 0.005595 0.43351
2 1MZC SUC 0.004708 0.43246
3 3WUR O4B 0.007906 0.43237
4 2GMP NAG MAN 0.007049 0.43131
5 3BU1 HSM 0.01 0.42949
6 3WUR O4B 0.008562 0.42937
7 3CQL NAG 0.007853 0.42709
8 3CQL NAG 0.008207 0.426
9 3KO0 TFP 0.009514 0.42259
10 3KO0 TFP 0.009132 0.42076
11 3K4Z CBI 0.00846 0.42027
12 3KO0 TFP 0.009751 0.41966
13 1T0S BML 0.01086 0.4196
14 1T0S BML 0.01086 0.4196
15 2V5E SCR 0.0214 0.41797
16 4Q86 AMP 0.005325 0.41651
17 4Q86 AMP 0.005576 0.41559
18 2GMP NAG MAN 0.01075 0.41468
19 2Y69 CHD 0.01782 0.41217
20 1SQL GUN 0.01815 0.40788
21 3HP9 CF1 0.01995 0.40721
22 2Q89 6CS 0.01585 0.40629
23 1KDO C 0.007576 0.40568
24 3PMA SCR 0.02939 0.40453
25 4OKD GLC GLC GLC 0.02474 0.404
26 2Y69 CHD 0.02416 0.40361
27 1SQL GUN 0.02158 0.40357
28 2V95 HCY 0.02342 0.40339
29 3PD6 PMP 0.01518 0.40308
30 1G0N PHH 0.02375 0.40288
31 3NUG NAD 0.01585 0.40086
32 2PHU MAN MAN 0.0252 0.40056
Pocket No.: 2; Query (leader) PDB : 1DEK; Ligand: DGP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1dek.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Feedback