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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
Ligand no: 1; Ligand: GFB; Similar ligands found: 100
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 GDC 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 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 ALF 5GP 0.598039 0.857143
36 CAG 0.586777 0.894118
37 ALF GDP 0.579439 0.857143
38 GDP AF3 0.579439 0.857143
39 GDP ALF 0.579439 0.857143
40 NGD 0.576271 0.949367
41 2MD 0.575 0.882353
42 0O2 0.568807 0.948052
43 GMP 0.565217 0.846154
44 FEG 0.563025 0.915663
45 U2G 0.563025 0.925926
46 MGD 0.560976 0.882353
47 G4P 0.560748 0.948052
48 ZGP 0.558333 0.882353
49 G3D 0.556604 0.948052
50 GDP 7MG 0.547826 0.925
51 G G 0.54386 0.936709
52 CG2 0.540984 0.925926
53 TPG 0.534884 0.853933
54 MD1 0.53125 0.882353
55 PGD 0.53125 0.914634
56 FE9 0.523438 0.789474
57 3GP 0.514852 0.910256
58 DBG 0.51145 0.9375
59 GH3 0.495495 0.935897
60 G1R G1R 0.488722 0.9375
61 R7I 0.486239 0.935065
62 R5I 0.486239 0.935065
63 2GP 0.485437 0.923077
64 A G 0.484375 0.924051
65 GCP G 0.482759 0.886076
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 AKW 0.464567 0.903614
78 MGP 0.459459 0.949367
79 6G0 0.455357 0.949367
80 GGM 0.453846 0.938272
81 G U 0.449612 0.890244
82 1JB 0.448276 0.724138
83 TRH 0.448276 0.724138
84 18T 0.448276 0.724138
85 GPC 0.443609 0.870588
86 P2G 0.435185 0.873418
87 GTA 0.432 0.95
88 G C 0.431818 0.890244
89 IMP 0.429907 0.922078
90 P1G 0.427273 0.8625
91 DG 0.425926 0.876543
92 DGP 0.425926 0.876543
93 G2Q 0.420168 0.925
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
100 AT4 0.4 0.851852
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: 46
This union binding pocket(no: 1) in the query (biounit: 3zy6.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 5ZXD ATP 1.65746
2 2Z3U CRR 2.20994
3 1R0X ATP 2.44755
4 4U00 ADP 2.45902
5 1OXV ANP 2.54958
6 1QH9 LAC 2.58621
7 1F9V ADP 2.59366
8 2PZE ATP 2.62009
9 3HQ9 OXL 2.89855
10 4YMU ATP 2.91667
11 4K7O EKZ 2.97619
12 3HQP OXL 3.03867
13 1IZC PYR 3.24484
14 2YN4 39J 3.38983
15 5X7Q GLC GLC GLC 3.59116
16 4KVL PLM 3.8674
17 3SIX GDP 3.93939
18 1Q19 SSC 4.14365
19 4KYS VIB 4.14365
20 3KC1 2T6 4.45104
21 1ON3 DXX 4.69613
22 3QDK QDK 4.72028
23 1QKQ MAN 4.92958
24 3CYQ AMU 5.07246
25 1NC4 DOF 5.11628
26 3B8I OXL 5.22648
27 4WCX MET 5.52486
28 3NHB ADP 5.52486
29 5NM7 GLY 5.6391
30 2VOH CIT 5.73248
31 6C0B PAM 5.76923
32 5KOR GDP 6.07735
33 5WHU SIA GAL GLC 6.71141
34 5WHU SIA 6.71141
35 3I7V ATP 6.71642
36 4WGF HX2 6.82927
37 2XOC ADE 7.27969
38 5ZI9 FLC 7.30769
39 3ZO7 K6H 7.44681
40 3ITJ CIT 7.69231
41 1TE2 PGA 7.9646
42 2OWZ CIT 8.13253
43 1G6H ADP 9.33852
44 2VGD XYP XYP 9.63303
45 2CBZ ATP 9.94475
46 1YFS ALA 23.2044
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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