Receptor
PDB id Resolution Class Description Source Keywords
5L0U 1.8 Å EC: 2.4.1.- HUMAN POGLUT1 IN COMPLEX WITH EGF(+) AND UDP-PHOSPHONO-GLUCO HOMO SAPIENS TRANSFERASE GLYCOSYLTRANSFERASE GT-B GLUCOSYLTRANSFERASE TR
Ref.: STRUCTURAL BASIS OF NOTCH O-GLUCOSYLATION AND O-XYL BY MAMMALIAN PROTEIN-O-GLUCOSYLTRANSFERASE 1 (POGLU NAT COMMUN V. 8 185 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
660 A:404;
Valid;
none;
submit data
564.329 C16 H26 N2 O16 P2 C1=CN...
NAG A:402;
A:403;
A:401;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
CA B:100;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5L0U 1.8 Å EC: 2.4.1.- HUMAN POGLUT1 IN COMPLEX WITH EGF(+) AND UDP-PHOSPHONO-GLUCO HOMO SAPIENS TRANSFERASE GLYCOSYLTRANSFERASE GT-B GLUCOSYLTRANSFERASE TR
Ref.: STRUCTURAL BASIS OF NOTCH O-GLUCOSYLATION AND O-XYL BY MAMMALIAN PROTEIN-O-GLUCOSYLTRANSFERASE 1 (POGLU NAT COMMUN V. 8 185 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 5L0U - 660 C16 H26 N2 O16 P2 C1=CN(C(=O....
2 5L0V - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 5L0T - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 5L0U - 660 C16 H26 N2 O16 P2 C1=CN(C(=O....
2 5L0V - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 5L0T - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 5UB5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
5 5L0R - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 5L0U - 660 C16 H26 N2 O16 P2 C1=CN(C(=O....
2 5L0V - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 5L0T - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 5UB5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
5 5L0R - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
6 5L0S - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 660; Similar ligands found: 87
No: Ligand ECFP6 Tc MDL keys Tc
1 660 1 1
2 URM 1 1
3 UDM 0.755556 0.985507
4 UDP 0.717949 0.927536
5 UTP 0.691358 0.927536
6 UNP 0.686747 0.901408
7 GDU 0.681818 0.956522
8 UPG 0.681818 0.956522
9 UFM 0.681818 0.956522
10 GUD 0.681818 0.956522
11 Y6W 0.674157 0.957747
12 UPU 0.670588 0.955882
13 U5P 0.662338 0.913043
14 UPF 0.623656 0.90411
15 U2F 0.623656 0.90411
16 44P 0.617284 0.915493
17 UPP 0.615385 0.928571
18 UGA 0.610526 0.942029
19 UGB 0.610526 0.942029
20 UFG 0.606383 0.90411
21 2KH 0.604651 0.901408
22 UD2 0.6 0.942857
23 UD1 0.6 0.942857
24 UDH 0.597826 0.905405
25 USQ 0.59375 0.835443
26 UDP GAL 0.589474 0.928571
27 UDX 0.589474 0.956522
28 UAD 0.589474 0.956522
29 3UC 0.581633 0.90411
30 UDP UDP 0.576471 0.898551
31 HP7 0.572816 0.928571
32 G3N 0.571429 0.929577
33 MJZ 0.567308 0.902778
34 U 0.552632 0.852941
35 URI 0.552632 0.852941
36 CJB 0.551282 0.838235
37 12V 0.54717 0.916667
38 HWU 0.54717 0.916667
39 EPZ 0.545455 0.929577
40 UD7 0.542857 0.915493
41 EEB 0.540541 0.916667
42 EPU 0.540541 0.916667
43 UD4 0.53271 0.902778
44 4TC 0.531532 0.846154
45 CSV 0.519231 0.866667
46 CSQ 0.519231 0.866667
47 UP5 0.513514 0.844156
48 UDZ 0.513514 0.844156
49 U3P 0.511905 0.898551
50 UA3 0.511905 0.898551
51 IUG 0.509091 0.802469
52 UMA 0.504202 0.929577
53 U U 0.5 0.914286
54 U22 0.491935 0.85
55 U21 0.48 0.871795
56 U20 0.48 0.871795
57 PUP 0.466019 0.928571
58 C5G 0.461538 0.90411
59 2QR 0.460938 0.8375
60 U2P 0.45977 0.913043
61 7XL 0.459184 0.90411
62 U2S 0.455556 0.783784
63 U4S 0.449438 0.746667
64 A U 0.449153 0.820513
65 CDP 0.446809 0.876712
66 CH 0.444444 0.849315
67 UAG 0.444444 0.905405
68 DKX 0.44186 0.763889
69 UD0 0.441176 0.8125
70 U3S 0.43956 0.77027
71 CTP 0.43299 0.876712
72 U1S 0.43 0.766234
73 2GW 0.428571 0.916667
74 4RA 0.426471 0.822785
75 UTP U U U 0.423077 0.884058
76 UMF 0.422222 0.821918
77 5GW 0.421569 0.902778
78 DUD 0.421053 0.901408
79 DUT 0.418367 0.901408
80 5FU 0.417582 0.851351
81 U U U U 0.413462 0.9
82 2TU 0.411765 0.767123
83 UML 0.408163 0.871795
84 UPA 0.404959 0.857143
85 C2G 0.403846 0.916667
86 1GW 0.403361 0.88
87 APU 0.401639 0.820513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5L0U; Ligand: 660; Similar sites found: 27
This union binding pocket(no: 1) in the query (biounit: 5l0u.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4JGP PYR 0.003984 0.45451 None
2 3HAV ATP 0.02039 0.41622 1.67224
3 4WNP 3RJ 0.01557 0.4046 3.48432
4 3IT7 TLA 0.006212 0.43357 3.84615
5 4LZB URA 0.01928 0.41063 5.88235
6 1ECM TSA 0.02707 0.40389 6.42202
7 3DGY 2GP 0.03744 0.40163 9.27835
8 3BMN AX3 0.007422 0.45342 9.52381
9 3L8H FX1 0.04598 0.41509 9.52381
10 1TZD ADP 0.03751 0.40334 9.52381
11 1SQL GUN 0.02625 0.4127 9.58904
12 1GMN IDS SGN IDS SGN IDS 0.03232 0.40763 10.929
13 2CHT TSA 0.01837 0.41687 11.0236
14 2WTX UDP 0.006768 0.40461 14.2857
15 2WTX VDO 0.007195 0.40461 14.2857
16 5E5U MLI 0.0312 0.40151 14.2857
17 4F8L AES 0.004995 0.46278 16.6667
18 2BOS GLA GAL GLC NBU 0.0038 0.45974 16.6667
19 2BOS GLA GAL GLC 0.003811 0.45925 16.6667
20 1Q7L GLY 0.02639 0.41865 16.6667
21 4ZBY URA 0.02537 0.41318 16.6667
22 2BVE PH5 0.03052 0.40234 18.4874
23 5D6T NGA 0.007277 0.42809 19.0476
24 3IAA TYD 0.003732 0.41884 19.0476
25 3RSC TYD 0.001874 0.40215 19.0476
26 4YGM URA 0.01632 0.40808 21.1538
27 2INV FRU FRU 0.02156 0.41576 21.4286
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