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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 209 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 175 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 149 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: 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 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 5GP 0.53913 0.829545
20 G 0.53913 0.829545
21 GDD 0.539062 0.833333
22 GKE 0.539062 0.833333
23 Y9Z 0.539062 0.808511
24 GDC 0.539062 0.833333
25 GDR 0.534884 0.853933
26 GFB 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 ALF GDP 0.48062 0.757895
45 GDP AF3 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 GPC 0.445946 0.808511
61 G U 0.441379 0.824176
62 G1G 0.44 0.866667
63 G4M 0.4375 0.829787
64 G C 0.435374 0.824176
65 3GP 0.434426 0.797753
66 A G 0.432432 0.811111
67 DGT 0.430769 0.782609
68 U A G G 0.42953 0.811111
69 GPX 0.428571 0.797753
70 GCP G 0.426471 0.797753
71 G A A A 0.422819 0.802198
72 2GP 0.422764 0.808989
73 GTA 0.415493 0.855556
74 6G0 0.412214 0.853933
75 UP5 0.406897 0.8
76 MGP 0.40458 0.853933
77 M7M 0.401515 0.931818
78 G G G C 0.4 0.835165
79 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: 100
This union binding pocket(no: 1) in the query (biounit: 1xk5.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3RV5 DXC None
2 5JAX 6J7 None
3 5EPO TUD 0.980392
4 3EKK GS2 0.980392
5 5EPO NAP 0.980392
6 5O98 NAP 1.47059
7 5TO8 7FM 2.45098
8 5F5N NAD 2.45098
9 5ZCT ANP 2.45098
10 1PK8 ATP 2.8436
11 2IV2 MGD 2.94118
12 5TT6 ATP 2.94118
13 5WAN FMN 2.94118
14 2IO8 ADP 2.94118
15 5WQP NAP 2.94118
16 5WQP NCA 2.94118
17 2QZZ NAP 2.94118
18 1H5Q NAP 2.94118
19 1W73 NAP 2.94118
20 1W6U NAP 2.94118
21 3HCN CHD 3.43137
22 5OVK NDP 3.43137
23 1CKN GTP 3.43137
24 4CJN MUR 3.43137
25 4NS3 NAD 3.43137
26 4WOE 3S5 3.43137
27 3GE7 AFQ 3.43137
28 5OVL NAP 3.43137
29 3WXB NDP 3.92157
30 4KS7 X4Z 3.92157
31 6CI9 NAP 3.92157
32 3VPB ADP 3.92157
33 4UIB GWX 3.92157
34 4FN4 NAD 3.92157
35 2QK4 ATP 4.41176
36 5JKG 6LF 4.41176
37 5L53 NAP 4.41176
38 1AOE GW3 4.6875
39 1AOE NDP 4.6875
40 5THQ NDP 4.77941
41 5EOB 5QQ 4.90196
42 5TA6 79D 4.90196
43 3TTI KBI 4.90196
44 1W96 S1A 4.90196
45 4GJ3 0XP 4.90196
46 3GF4 FAD 5.39216
47 3GF4 UPG 5.39216
48 4UWJ 7L5 5.39216
49 4UWJ MYA 5.39216
50 1U6R ADP 5.39216
51 4BXK 1IU 5.39216
52 2IHK CSF 5.39216
53 1EHI ADP 5.39216
54 2J7T 274 5.39216
55 3ZW2 NAG GAL FUC 5.74713
56 3TY5 ATP 5.88235
57 2EIX FAD 6.37255
58 5HZ9 5M8 6.66667
59 4XYM A12 6.86275
60 6C92 EQJ 6.86275
61 1M15 ARG 6.86275
62 1M15 ADP 6.86275
63 4ZTE 4RL 6.86275
64 4Z3X 4KX 7.26257
65 4Z3X MTE 7.26257
66 5ECP MET 7.35294
67 5ECP JAA 7.35294
68 5ECP ATP 7.35294
69 1OYB FMN 7.35294
70 5F3I 5UJ 7.35294
71 1N5D NDP 7.84314
72 3ETH ATP 7.84314
73 4EN4 ATP 7.84314
74 4EN4 GT0 7.84314
75 4EN4 GT1 7.84314
76 4URF NAD 7.84314
77 6BTP E8J 7.9602
78 2V3V MGD 8.33333
79 1WMA NDP 8.33333
80 1WMA AB3 8.33333
81 3AL3 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 8.33333
82 4NZN 2OU 8.33333
83 4NZN ANP 8.33333
84 2YW2 ATP 8.33333
85 4CLO NAP 8.33333
86 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 8.42105
87 5L4S NAP 8.82353
88 5L4S 6KX 8.82353
89 1AE1 NAP 8.82353
90 3SHR CMP 9.31373
91 5MU6 KFK 9.80392
92 5MU6 MYA 9.80392
93 5K2M ADP 10.2941
94 5N87 N66 10.7843
95 1ZEI CRS 11.3208
96 2V58 LZJ 11.7647
97 4BG4 ADP 12.7451
98 5TDF ADP 13.7255
99 5JR6 01B PRO PRO ALA NH2 16.6667
100 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 31.5789
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