Receptor
PDB id Resolution Class Description Source Keywords
5UXH 2.41 Å EC: 2.4.1.221 STRUCTURE OF HUMAN POFUT1 IN COMPLEX WITH GDP-FUCOSE HOMO SAPIENS GDP-FUCOSE NOTCH SIGNALING POFUT1 T-ALL TRANSFERASE
Ref.: STRUCTURE OF HUMAN POFUT1, ITS REQUIREMENT IN LIGAND-INDEPENDENT ONCOGENIC NOTCH SIGNALING, AND F EFFECTS OF DOWLING-DEGOS MUTATIONS. GLYCOBIOLOGY 1 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG A:402;
B:402;
Invalid;
Invalid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
GFB B:401;
A:401;
Valid;
Valid;
none;
none;
submit data
589.342 C16 H25 N5 O15 P2 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5UXH 2.41 Å EC: 2.4.1.221 STRUCTURE OF HUMAN POFUT1 IN COMPLEX WITH GDP-FUCOSE HOMO SAPIENS GDP-FUCOSE NOTCH SIGNALING POFUT1 T-ALL TRANSFERASE
Ref.: STRUCTURE OF HUMAN POFUT1, ITS REQUIREMENT IN LIGAND-INDEPENDENT ONCOGENIC NOTCH SIGNALING, AND F EFFECTS OF DOWLING-DEGOS MUTATIONS. GLYCOBIOLOGY 1 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 5UXH - GFB C16 H25 N5 O15 P2 C[C@H]1[C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5UXH - GFB C16 H25 N5 O15 P2 C[C@H]1[C@....
2 5KXQ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5UXH - GFB C16 H25 N5 O15 P2 C[C@H]1[C@....
2 3ZY3 Kd = 0.35 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 3ZY6 Kd = 0.23 uM GFB C16 H25 N5 O15 P2 C[C@H]1[C@....
4 3ZY5 Kd = 0.23 uM GFB C16 H25 N5 O15 P2 C[C@H]1[C@....
5 3ZY2 Kd = 0.35 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 5KXQ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GFB; Similar ligands found: 99
No: Ligand ECFP6 Tc MDL keys Tc
1 GFB 1 1
2 GDR 1 1
3 JB2 0.826531 1
4 GDC 0.804124 0.974359
5 GDD 0.804124 0.974359
6 GKE 0.804124 0.974359
7 GDX 0.8 0.987013
8 JB3 0.796117 0.987179
9 6CK 0.787879 0.95
10 GPD 0.764706 0.9625
11 GP3 0.747253 0.961538
12 G1R 0.726316 0.974026
13 GKD 0.721154 0.974359
14 GDP 0.72043 0.961039
15 GSP 0.71875 0.91358
16 GTP 0.715789 0.961039
17 GNH 0.712766 0.948718
18 GCP 0.690722 0.936709
19 GNP 0.683673 0.936709
20 GMV 0.680412 0.936709
21 G2R 0.666667 0.925
22 5GP 0.666667 0.948052
23 G 0.666667 0.948052
24 Y9Z 0.650943 0.892857
25 GTG 0.64486 0.95
26 G4M 0.637795 0.916667
27 GP2 0.632653 0.925
28 GPG 0.628571 0.949367
29 G3A 0.623853 0.961538
30 GAV 0.621359 0.925
31 GDP MG 0.62 0.888889
32 G5P 0.618182 0.961538
33 G2P 0.617647 0.925
34 GDP BEF 0.613861 0.86747
35 YGP 0.611111 0.914634
36 ALF 5GP 0.598039 0.857143
37 BEF GDP 0.596154 0.857143
38 GTP MG 0.596154 0.888889
39 GCP G 0.590476 0.9
40 CAG 0.586777 0.894118
41 GDP ALF 0.579439 0.857143
42 GDP AF3 0.579439 0.857143
43 NGD 0.576271 0.949367
44 2MD 0.575 0.882353
45 0O2 0.568807 0.948052
46 GMP 0.565217 0.846154
47 G G 0.563636 0.924051
48 FEG 0.563025 0.915663
49 U2G 0.563025 0.925926
50 MGD 0.560976 0.882353
51 G4P 0.560748 0.948052
52 ZGP 0.558333 0.882353
53 G3D 0.556604 0.948052
54 GDP 7MG 0.547826 0.925
55 CG2 0.540984 0.925926
56 TPG 0.534884 0.853933
57 MD1 0.53125 0.882353
58 PGD 0.53125 0.914634
59 FE9 0.523438 0.789474
60 3GP 0.514852 0.910256
61 DBG 0.51145 0.9375
62 I2C FE2 CMO CMO 0.496124 0.822222
63 GH3 0.495495 0.935897
64 G1R G1R 0.488722 0.9375
65 2GP 0.485437 0.923077
66 G1G 0.480916 0.938272
67 U A G G 0.48062 0.924051
68 ADQ 0.477876 0.886076
69 DGT 0.477477 0.888889
70 IDP 0.476636 0.935065
71 PGD O 0.474074 0.842697
72 GPX 0.473684 0.910256
73 G A A A 0.472868 0.9125
74 DGI 0.46789 0.888889
75 JBT 0.465517 0.810526
76 BGO 0.464567 0.962025
77 MGP 0.459459 0.949367
78 6G0 0.455357 0.949367
79 GGM 0.453846 0.938272
80 TRH 0.448276 0.724138
81 1JB 0.448276 0.724138
82 18T 0.448276 0.724138
83 GPC 0.443609 0.870588
84 G G U 0.443548 0.924051
85 P2G 0.435185 0.873418
86 GTA 0.432 0.95
87 G C 0.431818 0.890244
88 IMP 0.429907 0.922078
89 P1G 0.427273 0.8625
90 DGP 0.425926 0.876543
91 DG 0.425926 0.876543
92 G2Q 0.420168 0.925
93 U G A 0.418919 0.879518
94 G7M 0.412844 0.936709
95 G G G RPC 0.410448 0.865854
96 01G 0.403226 0.892857
97 G G G C 0.402878 0.902439
98 A2D 0.401869 0.884615
99 A G C C 0.4 0.901235
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5UXH; Ligand: GFB; Similar sites found: 16
This union binding pocket(no: 1) in the query (biounit: 5uxh.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4PPF FLC 0.02565 0.40802 2
2 4B0T ADP 0.008991 0.40071 2.45232
3 4YBN FAD 0.008204 0.40812 3.125
4 4TXE 38F 0.008275 0.4058 3.40136
5 5KOR GDP 0.0000007804 0.56593 3.54223
6 2YN4 39J 0.01995 0.40973 3.81356
7 2YNE NHW 0.02664 0.41435 4.90463
8 2YNE YNE 0.02664 0.41435 4.90463
9 2DM6 IMN 0.01636 0.40575 5.1051
10 4KBA 1QM 0.01509 0.40913 5.43807
11 3SIX GDP 0.0000001348 0.55072 5.75758
12 2QHS OCA 0.01363 0.40714 5.90717
13 1JI0 ATP 0.02519 0.40208 6.25
14 2QHV OC9 0.01202 0.41407 6.66667
15 1MXG ACR 0.01614 0.40767 7.90191
16 3FC4 EDO 0.03059 0.40342 10.8992
Pocket No.: 2; Query (leader) PDB : 5UXH; Ligand: GFB; Similar sites found: 5
This union binding pocket(no: 2) in the query (biounit: 5uxh.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3F3E LEU 0.01413 0.41288 1.63488
2 2VGD XYP XYP 0.01416 0.41727 2.75229
3 3G5D 1N1 0.02441 0.41018 3.14685
4 2CYB TYR 0.01558 0.41125 11.4551
5 5G5G FAD 0.006776 0.43207 12.6638
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