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 uM
832.501 C23 H35 N10 O18 P3 CN1CN...
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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 232 families.
1 1XK5 Kd = 1 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 197 families.
1 1XK5 Kd = 1 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 165 families.
1 1XK5 Kd = 1 uM TPG C23 H35 N10 O18 P3 CN1CN(C2=C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TPG; Similar ligands found: 79
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 M7G A2M G 0.5625 0.944444
13 G2R 0.560976 0.813187
14 GNP 0.558333 0.822222
15 9GM 0.558333 0.822222
16 GPG 0.556452 0.833333
17 GMV 0.554622 0.822222
18 MGT 0.55 0.920455
19 CAG 0.539568 0.791667
20 G 0.53913 0.829545
21 5GP 0.53913 0.829545
22 Y9Z 0.539062 0.808511
23 GDC 0.539062 0.833333
24 GKE 0.539062 0.833333
25 GDD 0.539062 0.833333
26 GFB 0.534884 0.853933
27 GDR 0.534884 0.853933
28 GKD 0.534351 0.833333
29 6CK 0.530769 0.815217
30 GPD 0.530303 0.826087
31 M7G 0.525 0.920455
32 GAV 0.524194 0.813187
33 JB2 0.522727 0.853933
34 YGP 0.51938 0.88764
35 U2G 0.518248 0.855556
36 GP2 0.516667 0.833333
37 CG2 0.510791 0.855556
38 GTP MG 0.508065 0.808989
39 G2P 0.508065 0.833333
40 GDX 0.507463 0.842697
41 NGD 0.507246 0.833333
42 JB3 0.5 0.865169
43 GDP BEF 0.5 0.791209
44 0O2 0.496124 0.829545
45 ALF 5GP 0.491935 0.757895
46 2MD 0.485915 0.879121
47 GDP ALF 0.48062 0.757895
48 GDP AF3 0.48062 0.757895
49 FE9 0.47619 0.792079
50 MGD 0.475862 0.879121
51 FEG 0.475177 0.808511
52 PGD 0.472973 0.846154
53 ZGP 0.471831 0.8
54 G4P 0.465116 0.829545
55 MD1 0.463087 0.879121
56 G3D 0.460938 0.829545
57 GDP 7MG 0.459854 0.833333
58 GH3 0.457364 0.820225
59 DBG 0.456954 0.824176
60 I2C FE2 CMO CMO 0.456376 0.822917
61 GMP 0.45614 0.741573
62 KB7 0.452381 0.741935
63 GPC 0.445946 0.808511
64 KBD 0.440298 0.741935
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 GPX 0.428571 0.797753
71 2GP 0.422764 0.808989
72 KBJ 0.417266 0.71875
73 GTA 0.415493 0.855556
74 6G0 0.412214 0.853933
75 QBQ 0.407692 0.829545
76 UP5 0.406897 0.8
77 MGP 0.40458 0.853933
78 M7M 0.401515 0.931818
79 DGI 0.4 0.782609
Similar Ligands (3D)
Ligand no: 1; Ligand: TPG; 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 : 1XK5; Ligand: TPG; 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: 1xk5.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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