Receptor
PDB id Resolution Class Description Source Keywords
1XK5 2.4 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE M3G-CAP-BINDING DOMAIN OF SNURPORTIN1 IN COMPLEX WITH A M3GPPPG-CAP DINUCLEOTIDE HOMO SAPIENS PROTEIN-RNA-COMPLEX TRANSPORT PROTEIN
Ref.: STRUCTURAL BASIS FOR M(3)G-CAP-MEDIATED NUCLEAR IMPORT OF SPLICEOSOMAL USNRNPS BY SNURPORTIN1 EMBO J. V. 24 2235 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TPG A:400;
Valid;
none;
Kd = 1.24 uM
832.501 C23 H35 N10 O18 P3 CN1CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XK5 2.4 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE M3G-CAP-BINDING DOMAIN OF SNURPORTIN1 IN COMPLEX WITH A M3GPPPG-CAP DINUCLEOTIDE HOMO SAPIENS PROTEIN-RNA-COMPLEX TRANSPORT PROTEIN
Ref.: STRUCTURAL BASIS FOR M(3)G-CAP-MEDIATED NUCLEAR IMPORT OF SPLICEOSOMAL USNRNPS BY SNURPORTIN1 EMBO J. V. 24 2235 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 1XK5 Kd = 1.24 uM TPG C23 H35 N10 O18 P3 CN1CN(C2=C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 1XK5 Kd = 1.24 uM TPG C23 H35 N10 O18 P3 CN1CN(C2=C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 1XK5 Kd = 1.24 uM TPG C23 H35 N10 O18 P3 CN1CN(C2=C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TPG; Similar ligands found: 80
No: Ligand ECFP6 Tc MDL keys Tc
1 TPG 1 1
2 GP3 0.645455 0.842697
3 GTP 0.608696 0.840909
4 GSP 0.598291 0.804348
5 GDP 0.582609 0.840909
6 G3A 0.579365 0.842697
7 GNH 0.577586 0.831461
8 G1R 0.576271 0.831461
9 G5P 0.574803 0.842697
10 GTG 0.571429 0.855556
11 GCP 0.563025 0.842697
12 G2R 0.560976 0.813187
13 GNP 0.558333 0.822222
14 GPG 0.556452 0.833333
15 GMV 0.554622 0.822222
16 MGT 0.55 0.920455
17 CAG 0.539568 0.791667
18 G 0.53913 0.829545
19 5GP 0.53913 0.829545
20 GDD 0.539062 0.833333
21 GKE 0.539062 0.833333
22 Y9Z 0.539062 0.808511
23 GDC 0.539062 0.833333
24 GDR 0.534884 0.853933
25 GFB 0.534884 0.853933
26 GKD 0.534351 0.833333
27 6CK 0.530769 0.815217
28 GPD 0.530303 0.826087
29 M7G 0.525 0.920455
30 GAV 0.524194 0.813187
31 JB2 0.522727 0.853933
32 YGP 0.51938 0.88764
33 U2G 0.518248 0.855556
34 GP2 0.516667 0.833333
35 GCP G 0.512 0.811111
36 CG2 0.510791 0.855556
37 GDP MG 0.508197 0.782609
38 G2P 0.508065 0.833333
39 GDX 0.507463 0.842697
40 NGD 0.507246 0.833333
41 GDP BEF 0.504065 0.765957
42 GTP MG 0.504 0.782609
43 JB3 0.5 0.865169
44 0O2 0.496124 0.829545
45 BEF GDP 0.492063 0.757895
46 ALF 5GP 0.491935 0.757895
47 2MD 0.485915 0.879121
48 GDP ALF 0.48062 0.757895
49 GDP AF3 0.48062 0.757895
50 FE9 0.47619 0.792079
51 MGD 0.475862 0.879121
52 FEG 0.475177 0.808511
53 PGD 0.472973 0.846154
54 ZGP 0.471831 0.8
55 G G 0.469697 0.811111
56 G4P 0.465116 0.829545
57 MD1 0.463087 0.879121
58 G3D 0.460938 0.829545
59 GDP 7MG 0.459854 0.833333
60 GH3 0.457364 0.820225
61 DBG 0.456954 0.824176
62 GMP 0.45614 0.741573
63 GPC 0.445946 0.808511
64 I2C FE2 CMO CMO 0.442953 0.822917
65 G1G 0.44 0.866667
66 G4M 0.4375 0.829787
67 G C 0.435374 0.824176
68 3GP 0.434426 0.797753
69 DGT 0.430769 0.782609
70 U A G G 0.42953 0.811111
71 GPX 0.428571 0.797753
72 G A A A 0.422819 0.802198
73 2GP 0.422764 0.808989
74 GTA 0.415493 0.855556
75 6G0 0.412214 0.853933
76 UP5 0.406897 0.8
77 MGP 0.40458 0.853933
78 M7M 0.401515 0.931818
79 G G G C 0.4 0.835165
80 DGI 0.4 0.782609
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XK5; Ligand: TPG; Similar sites found: 63
This union binding pocket(no: 1) in the query (biounit: 1xk5.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3RV5 DXC 0.01601 0.40909 None
2 5EPO TUD 0.005956 0.43327 0.980392
3 1HDR NAD 0.03867 0.41796 1.96078
4 5TO8 7FM 0.009369 0.45145 2.45098
5 2IV2 MGD 0.005771 0.46254 2.94118
6 2IO8 ADP 0.01807 0.414 2.94118
7 1CKN GTP 0.001469 0.45536 3.43137
8 2YNE NHW 0.02908 0.44416 3.43137
9 2YNE YNE 0.02908 0.44416 3.43137
10 1CKM GTP 0.004424 0.44415 3.43137
11 3HCN CHD 0.0409 0.41889 3.43137
12 4R33 SAH 0.03667 0.4113 3.43137
13 4R33 TRP 0.03667 0.4113 3.43137
14 4WOE 3S5 0.004928 0.40655 3.43137
15 4KS7 X4Z 0.01656 0.41405 3.92157
16 2QK4 ATP 0.006588 0.41773 4.41176
17 5JKG 6LF 0.0375 0.40992 4.41176
18 5L53 NAP 0.02302 0.40711 4.41176
19 1AOE GW3 0.02983 0.42002 4.6875
20 5THQ NDP 0.03249 0.40855 4.77941
21 5EOB 5QQ 0.04201 0.41878 4.90196
22 1W96 S1A 0.02235 0.4049 4.90196
23 3GF4 UPG 0.04204 0.42463 5.39216
24 3GF4 FAD 0.03907 0.42463 5.39216
25 4UWJ MYA 0.04373 0.42137 5.39216
26 4UWJ 7L5 0.04373 0.42137 5.39216
27 1U6R ADP 0.009773 0.42027 5.39216
28 4BXK 1IU 0.03245 0.41037 5.39216
29 1EHI ADP 0.02401 0.40484 5.39216
30 2J7T 274 0.03865 0.40357 5.39216
31 2P2V CSF 0.03008 0.40286 5.39216
32 3ZW2 NAG GAL FUC 0.009344 0.41673 5.74713
33 3TY5 ATP 0.00288 0.44008 5.88235
34 2EIX FAD 0.02255 0.41613 6.37255
35 4XYM A12 0.01172 0.41781 6.86275
36 1M15 ADP 0.042 0.40513 6.86275
37 1M15 ARG 0.042 0.40513 6.86275
38 4ZTE 4RL 0.02478 0.40372 6.86275
39 4Z3X MTE 0.0223 0.44194 7.26257
40 4Z3X 4KX 0.03821 0.42982 7.26257
41 5ECP MET 0.03171 0.42355 7.35294
42 5ECP ATP 0.0352 0.4228 7.35294
43 5ECP JAA 0.0329 0.4228 7.35294
44 1OYB FMN 0.02799 0.40943 7.35294
45 1N5D NDP 0.01292 0.43599 7.84314
46 3ETH ATP 0.008493 0.4289 7.84314
47 4EN4 GT0 0.03177 0.41525 7.84314
48 4EN4 ATP 0.03177 0.41525 7.84314
49 4EN4 GT1 0.03177 0.41525 7.84314
50 2V3V MGD 0.03502 0.43913 8.33333
51 1WMA AB3 0.03035 0.42515 8.33333
52 2YW2 ATP 0.02092 0.40541 8.33333
53 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 0.02664 0.42067 8.42105
54 5L4S 6KX 0.0192 0.43298 8.82353
55 5L4S NAP 0.0192 0.43298 8.82353
56 1TMM APC 0.04244 0.40307 10.1266
57 1TMM HHR 0.04161 0.40243 10.1266
58 5K2M ADP 0.02488 0.40973 10.2941
59 5N87 N66 0.03544 0.4118 10.7843
60 2V58 LZJ 0.02215 0.42776 11.7647
61 4BG4 ADP 0.01862 0.40557 12.7451
62 5TDF ADP 0.007065 0.43033 13.7255
63 5JR6 01B PRO PRO ALA NH2 0.01592 0.40522 16.6667
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