Receptor
PDB id Resolution Class Description Source Keywords
3ZY6 1.91 Å EC: 2.4.1.221 CRYSTAL STRUCTURE OF POFUT1 IN COMPLEX WITH GDP-FUCOSE (CRYS II) CAENORHABDITIS ELEGANS TRANSFERASE GLYCOSYLTRANSFERASE GT-B CATALYTIC MECHANISM
Ref.: STRUCTURAL INSIGHTS INTO THE MECHANISM OF PROTEIN O-FUCOSYLATION. PLOS ONE V. 6 25365 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GFB A:1381;
Valid;
none;
Kd = 0.23 uM
589.342 C16 H25 N5 O15 P2 C[C@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ZY6 1.91 Å EC: 2.4.1.221 CRYSTAL STRUCTURE OF POFUT1 IN COMPLEX WITH GDP-FUCOSE (CRYS II) CAENORHABDITIS ELEGANS TRANSFERASE GLYCOSYLTRANSFERASE GT-B CATALYTIC MECHANISM
Ref.: STRUCTURAL INSIGHTS INTO THE MECHANISM OF PROTEIN O-FUCOSYLATION. PLOS ONE V. 6 25365 2011
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3ZY3 Kd = 0.35 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 3ZY6 Kd = 0.23 uM GFB C16 H25 N5 O15 P2 C[C@H]1[C@....
3 3ZY5 Kd = 0.23 uM GFB C16 H25 N5 O15 P2 C[C@H]1[C@....
4 3ZY2 Kd = 0.35 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3ZY3 Kd = 0.35 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 3ZY6 Kd = 0.23 uM GFB C16 H25 N5 O15 P2 C[C@H]1[C@....
3 3ZY5 Kd = 0.23 uM GFB C16 H25 N5 O15 P2 C[C@H]1[C@....
4 3ZY2 Kd = 0.35 uM 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 (2D)
Ligand no: 1; Ligand: GFB; Similar ligands found: 102
No: Ligand ECFP6 Tc MDL keys Tc
1 GFB 1 1
2 GDR 1 1
3 JB2 0.826531 1
4 GDD 0.804124 0.974359
5 GKE 0.804124 0.974359
6 GDC 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 9GM 0.683673 0.936709
21 GMV 0.680412 0.936709
22 G 0.666667 0.948052
23 G2R 0.666667 0.925
24 5GP 0.666667 0.948052
25 Y9Z 0.650943 0.892857
26 GTG 0.64486 0.95
27 G4M 0.637795 0.916667
28 GP2 0.632653 0.925
29 GPG 0.628571 0.949367
30 G3A 0.623853 0.961538
31 GAV 0.621359 0.925
32 G5P 0.618182 0.961538
33 G2P 0.617647 0.925
34 YGP 0.611111 0.914634
35 GDP BEF 0.607843 0.9
36 GTP MG 0.601942 0.923077
37 ALF 5GP 0.598039 0.857143
38 CAG 0.586777 0.894118
39 GDP AF3 0.579439 0.857143
40 GDP ALF 0.579439 0.857143
41 NGD 0.576271 0.949367
42 2MD 0.575 0.882353
43 0O2 0.568807 0.948052
44 GMP 0.565217 0.846154
45 KB7 0.563107 0.841463
46 U2G 0.563025 0.925926
47 FEG 0.563025 0.915663
48 MGD 0.560976 0.882353
49 G4P 0.560748 0.948052
50 ZGP 0.558333 0.882353
51 G3D 0.556604 0.948052
52 GDP 7MG 0.547826 0.925
53 CG2 0.540984 0.925926
54 TPG 0.534884 0.853933
55 PGD 0.53125 0.914634
56 MD1 0.53125 0.882353
57 FE9 0.523438 0.789474
58 3GP 0.514852 0.910256
59 KBD 0.513274 0.841463
60 DBG 0.51145 0.9375
61 KBJ 0.495726 0.811765
62 GH3 0.495495 0.935897
63 G1R G1R 0.488722 0.9375
64 I2C FE2 CMO CMO 0.48855 0.822222
65 GZ0 0.487805 0.962025
66 R5I 0.486239 0.935065
67 R7I 0.486239 0.935065
68 2GP 0.485437 0.923077
69 G1G 0.480916 0.938272
70 ADQ 0.477876 0.886076
71 DGT 0.477477 0.888889
72 IDP 0.476636 0.935065
73 PGD O 0.474074 0.842697
74 GPX 0.473684 0.910256
75 AWU 0.468468 0.8
76 DGI 0.46789 0.888889
77 JBT 0.465517 0.810526
78 BGO 0.464567 0.962025
79 AKW 0.464567 0.903614
80 QBQ 0.463636 0.948052
81 MGP 0.459459 0.949367
82 6G0 0.455357 0.949367
83 GGM 0.453846 0.938272
84 1JB 0.448276 0.724138
85 TRH 0.448276 0.724138
86 18T 0.448276 0.724138
87 GPC 0.443609 0.870588
88 P2G 0.435185 0.873418
89 GTA 0.432 0.95
90 G C 0.431818 0.890244
91 IMP 0.429907 0.922078
92 P1G 0.427273 0.8625
93 DG 0.425926 0.876543
94 DGP 0.425926 0.876543
95 G2Q 0.420168 0.925
96 CZF 0.415929 0.897436
97 G7M 0.412844 0.936709
98 01G 0.403226 0.892857
99 A2D 0.401869 0.884615
100 HQG 0.401709 0.897436
101 AT4 0.4 0.851852
102 APC G U 0.4 0.876543
Similar Ligands (3D)
Ligand no: 1; Ligand: GFB; 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 : 3ZY6; Ligand: GFB; 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: 3zy6.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3ZY6; Ligand: GFB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3zy6.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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