Receptor
PDB id Resolution Class Description Source Keywords
5KY3 1.53 Å EC: 2.4.1.221 MOUSE POFUT1 IN COMPLEX WITH MOUSE FACTOR VII EGF1 MUTANT (T GDP-FUCOSE MUS MUSCULUS GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: RECOGNITION OF EGF-LIKE DOMAINS BY THE NOTCH-MODIFY O-FUCOSYLTRANSFERASE POFUT1. NAT. CHEM. BIOL. V. 13 757 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG A:402;
A:401;
Invalid;
Invalid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
GOL A:403;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
GFB A:404;
Valid;
Atoms found MORE than expected: % Diff = 1.737;
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
5KY3 1.53 Å EC: 2.4.1.221 MOUSE POFUT1 IN COMPLEX WITH MOUSE FACTOR VII EGF1 MUTANT (T GDP-FUCOSE MUS MUSCULUS GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: RECOGNITION OF EGF-LIKE DOMAINS BY THE NOTCH-MODIFY O-FUCOSYLTRANSFERASE POFUT1. NAT. CHEM. BIOL. V. 13 757 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 5KY2 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 5KXH - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 5KY3 - GFB C16 H25 N5 O15 P2 C[C@H]1[C@....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5KY2 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 5KXH - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 5KY3 - GFB C16 H25 N5 O15 P2 C[C@H]1[C@....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5KY7 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 5KY5 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 5KY2 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 5KXH - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 5KY3 - GFB C16 H25 N5 O15 P2 C[C@H]1[C@....
6 5KY0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 5KY8 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 5KY9 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 5KY4 - 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 : 5KY3; Ligand: GFB; Similar sites found: 48
This union binding pocket(no: 1) in the query (biounit: 5ky3.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ON3 DXX 0.004714 0.42944 1.69014
2 3OO6 GAL 0.02005 0.41148 2.25352
3 3B9Q MLI 0.003946 0.45528 2.31788
4 2VGD XYP XYP 0.01063 0.43704 2.75229
5 4O08 PO6 0.02917 0.40515 2.80374
6 3HQP OXL 0.01799 0.42035 3.38028
7 1BRW URA 0.02313 0.41067 3.38028
8 3SIX GDP 0.000001619 0.59669 3.63636
9 5AB1 BCD TA5 HP6 MAN 0.01865 0.41151 3.66667
10 2YN4 39J 0.01785 0.41983 3.81356
11 2F5X ASP 0.02824 0.40419 3.84615
12 4K7O EKZ 0.003915 0.45409 4.16667
13 4SGA ACE PRO ALA PRO PHE 0.009515 0.41176 4.41989
14 5A7C 5D4 0.01784 0.40324 4.42478
15 1M5W DXP 0.03222 0.40118 4.52675
16 4QYS PLR 0.01671 0.40383 4.78873
17 1M2Z BOG 0.002429 0.45184 5
18 1VPD TLA 0.01602 0.41462 5
19 2PEL LAT 0.01944 0.41351 5
20 3CYQ AMU 0.004769 0.45246 5.07246
21 3HSS MLA 0.01048 0.4179 5.11945
22 5N53 8NB 0.03274 0.40104 5.12821
23 2JK0 ASP 0.01884 0.41628 5.23077
24 1U4J MAN 0.01294 0.41174 5.9322
25 5FAW CHT 0.01543 0.41792 6.19718
26 3FIU POP 0.02618 0.40612 6.4257
27 3KDM TES 0.02189 0.41158 6.88073
28 4MYD 164 0.02014 0.40763 7.14286
29 3ZO7 K6H 0.02785 0.40044 7.44681
30 3L24 GOA 0.00854 0.44551 7.5
31 5CKS GAL 0.02282 0.40513 7.5
32 1J6W MET 0.0232 0.40727 8.57143
33 3HRD NIO 0.0252 0.41243 10
34 1H5S TMP 0.01192 0.40714 10
35 2VOH CIT 0.000918 0.4761 10.1911
36 5N17 8FK 0.0104 0.43559 11.5942
37 5KOR GDP 0.00000602 0.53579 12.5
38 4D52 GIV 0.02377 0.41026 12.5
39 4JGP PYR 0.02914 0.40467 12.5
40 1WHT BZS 0.02188 0.4075 14.4531
41 1YFS ALA 0.01442 0.43047 15
42 1XS5 MET 0.01899 0.41322 15
43 4WA2 SIA GAL NAG 0.02128 0.41242 15
44 5AOA PPI 0.01167 0.42775 17.5
45 2JBM SRT 0.02371 0.41812 17.5
46 2Z9I GLY ALA THR VAL 0.02392 0.41329 17.5
47 5LZH 7BO 0.0203 0.40745 17.5
48 4BCM T7Z 0.0246 0.40734 21.9269
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