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...
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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 220 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 186 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 157 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: 82
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 9GM 0.558333 0.822222
14 GNP 0.558333 0.822222
15 GPG 0.556452 0.833333
16 GMV 0.554622 0.822222
17 MGT 0.55 0.920455
18 CAG 0.539568 0.791667
19 G 0.53913 0.829545
20 5GP 0.53913 0.829545
21 GDC 0.539062 0.833333
22 GDD 0.539062 0.833333
23 Y9Z 0.539062 0.808511
24 GKE 0.539062 0.833333
25 GFB 0.534884 0.853933
26 GDR 0.534884 0.853933
27 GKD 0.534351 0.833333
28 6CK 0.530769 0.815217
29 GPD 0.530303 0.826087
30 M7G 0.525 0.920455
31 GAV 0.524194 0.813187
32 JB2 0.522727 0.853933
33 YGP 0.51938 0.88764
34 U2G 0.518248 0.855556
35 GP2 0.516667 0.833333
36 CG2 0.510791 0.855556
37 G2P 0.508065 0.833333
38 GDX 0.507463 0.842697
39 NGD 0.507246 0.833333
40 JB3 0.5 0.865169
41 0O2 0.496124 0.829545
42 ALF 5GP 0.491935 0.757895
43 2MD 0.485915 0.879121
44 GDP AF3 0.48062 0.757895
45 ALF GDP 0.48062 0.757895
46 GDP ALF 0.48062 0.757895
47 FE9 0.47619 0.792079
48 MGD 0.475862 0.879121
49 FEG 0.475177 0.808511
50 PGD 0.472973 0.846154
51 ZGP 0.471831 0.8
52 G G 0.466667 0.822222
53 G4P 0.465116 0.829545
54 MD1 0.463087 0.879121
55 G3D 0.460938 0.829545
56 GDP 7MG 0.459854 0.833333
57 GH3 0.457364 0.820225
58 DBG 0.456954 0.824176
59 GMP 0.45614 0.741573
60 KB7 0.452381 0.741935
61 GPC 0.445946 0.808511
62 G U 0.441379 0.824176
63 KBD 0.440298 0.741935
64 G1G 0.44 0.866667
65 G4M 0.4375 0.829787
66 G C 0.435374 0.824176
67 3GP 0.434426 0.797753
68 A G 0.432432 0.811111
69 DGT 0.430769 0.782609
70 U A G G 0.42953 0.811111
71 GPX 0.428571 0.797753
72 GCP G 0.426471 0.797753
73 G A A A 0.422819 0.802198
74 2GP 0.422764 0.808989
75 KBJ 0.417266 0.71875
76 GTA 0.415493 0.855556
77 6G0 0.412214 0.853933
78 UP5 0.406897 0.8
79 MGP 0.40458 0.853933
80 M7M 0.401515 0.931818
81 G G G C 0.4 0.835165
82 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 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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