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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 LESS than expected: % Diff = 0;
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: 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 : 5KY3; Ligand: GFB; Similar sites found with APoc: 96
This union binding pocket(no: 1) in the query (biounit: 5ky3.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 1ON3 DXX 1.69014
2 5ZRR 9J3 1.88679
3 1JQY A32 1.94175
4 3OO6 GAL 2.25352
5 3B9Q MLI 2.31788
6 1F9V ADP 2.59366
7 1IIM TTP 2.73973
8 2VGD XYP XYP 2.75229
9 4O08 PO6 2.80374
10 5NG7 SER 3.01003
11 3HQP OXL 3.38028
12 1BRW URA 3.38028
13 1LVW TYD 3.38983
14 4B5W PYR 3.51562
15 6A46 DCM 3.51562
16 1IZC PYR 3.53982
17 3SIX GDP 3.63636
18 5AB1 BCD TA5 HP6 MAN 3.66667
19 3NOJ PYR 3.78151
20 2YN4 39J 3.81356
21 2F5X ASP 3.84615
22 4K7O EKZ 4.16667
23 4SGA ACE PRO ALA PRO PHE 4.41989
24 5A7C 5D4 4.42478
25 3U7Q HCA 4.50704
26 1M5W DXP 4.52675
27 3B8I OXL 4.52962
28 5ZI9 FLC 4.61538
29 4QYS PLR 4.78873
30 1OFZ FUC 4.80769
31 4PB2 5UD 4.95283
32 1M2Z BOG 5
33 3KJQ B94 5
34 2PEL LAT 5
35 1RRC ADP 5
36 3CYQ AMU 5.07246
37 3HSS MLA 5.11945
38 5N53 8NB 5.12821
39 2JK0 ASP 5.23077
40 5NM7 GLY 5.26316
41 4COQ SAN 5.6338
42 1U4J MAN 5.9322
43 5FAW CHT 6.19718
44 2HIM ASP 6.19718
45 2HIM ASN 6.19718
46 6A6A DAL 6.22222
47 3FIU POP 6.4257
48 1TE2 PGA 6.63717
49 3KDM TES 6.88073
50 4MYD 164 7.14286
51 2QIE 8CS 7.43243
52 3ZO7 K6H 7.44681
53 3L24 GOA 7.5
54 3KLL MAL 7.5
55 5TVF PUT 7.5
56 5CKS GAL 7.5
57 5ZZO FLC 7.5
58 2DW7 SRT 7.5
59 3A75 GLU 8.10811
60 1H8P PC 8.25688
61 1PWB GLC 8.47458
62 1J6W MET 8.57143
63 5XH2 NPO 10
64 5A0U CHT 10
65 1H5T TYD 10
66 2D3N GLC GLC GLC 10
67 3HRD NIO 10
68 1H5S TMP 10
69 2EG7 OTD 10
70 5WZE PRO 10
71 2VOH CIT 10.1911
72 5Y4R C2E 10.3448
73 5N17 8FK 11.5942
74 1SWG BTN 11.7188
75 5KOR GDP 12.5
76 1RYD GLC 12.5
77 4D52 GXL 12.5
78 4D52 GIV 12.5
79 1FDJ 13P 12.5
80 4JGP PYR 12.5
81 4IP7 FLC 12.5
82 1WHT BZS 14.4531
83 4RF7 ARG 15
84 1YFS ALA 15
85 1XS5 MET 15
86 4WA2 SIA GAL NAG 15
87 1YQT ADP 15
88 4KVL PLM 17.5
89 2JBM SRT 17.5
90 5AOA PPI 17.5
91 5YV5 ADP 17.5
92 2Z9I GLY ALA THR VAL 17.5
93 3KVY URA 17.5
94 4BCM T7Z 21.9269
95 3B99 U51 25
96 4NTO 1PW 25
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