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 35 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 32 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 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....
6 5L0S - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 660; Similar ligands found: 93
No: Ligand ECFP6 Tc MDL keys Tc
1 URM 1 1
2 660 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 U5F 0.682927 0.927536
8 UFM 0.681818 0.956522
9 UPG 0.681818 0.956522
10 GDU 0.681818 0.956522
11 Y6W 0.674157 0.957747
12 UPU 0.670588 0.955882
13 U 0.662338 0.913043
14 U5P 0.662338 0.913043
15 UPF 0.623656 0.90411
16 U2F 0.623656 0.90411
17 44P 0.617284 0.915493
18 UPP 0.615385 0.928571
19 UGB 0.610526 0.942029
20 UGA 0.610526 0.942029
21 UFG 0.606383 0.90411
22 2KH 0.604651 0.901408
23 AWU 0.602151 0.928571
24 UD2 0.6 0.942857
25 UD1 0.6 0.942857
26 UDH 0.597826 0.905405
27 USQ 0.59375 0.835443
28 UDP GAL 0.589474 0.928571
29 UAD 0.589474 0.956522
30 UDX 0.589474 0.956522
31 UGF 0.587629 0.890411
32 3UC 0.581633 0.90411
33 UDP UDP 0.576471 0.898551
34 HP7 0.572816 0.928571
35 G3N 0.571429 0.929577
36 MJZ 0.567308 0.902778
37 URI 0.552632 0.852941
38 CJB 0.551282 0.838235
39 HWU 0.54717 0.916667
40 12V 0.54717 0.916667
41 EPZ 0.545455 0.929577
42 UD7 0.542857 0.915493
43 EPU 0.540541 0.916667
44 EEB 0.540541 0.916667
45 F5G 0.53271 0.915493
46 F5P 0.53271 0.902778
47 UD4 0.53271 0.902778
48 4TC 0.531532 0.846154
49 CSQ 0.519231 0.866667
50 CSV 0.519231 0.866667
51 UDZ 0.513514 0.844156
52 UP5 0.513514 0.844156
53 U3P 0.511905 0.898551
54 UA3 0.511905 0.898551
55 IUG 0.509091 0.802469
56 UMA 0.504202 0.929577
57 U22 0.491935 0.85
58 U20 0.48 0.871795
59 U21 0.48 0.871795
60 FZK 0.469388 0.792683
61 PUP 0.466019 0.928571
62 C5G 0.461538 0.90411
63 2QR 0.460938 0.8375
64 U2P 0.45977 0.913043
65 0RC 0.459184 0.88
66 7XL 0.459184 0.90411
67 U2S 0.455556 0.783784
68 U4S 0.449438 0.746667
69 CDP 0.446809 0.876712
70 UAG 0.444444 0.905405
71 DKX 0.44186 0.763889
72 UD0 0.441176 0.8125
73 U3S 0.43956 0.77027
74 LSU 0.436893 0.732558
75 YSU 0.435185 0.761905
76 HF4 0.43299 0.876712
77 CTP 0.43299 0.876712
78 U1S 0.43 0.766234
79 BUP 0.428571 0.864865
80 2GW 0.428571 0.916667
81 4RA 0.426471 0.822785
82 UTP U U U 0.423077 0.884058
83 UMF 0.422222 0.821918
84 5GW 0.421569 0.902778
85 DUD 0.421053 0.901408
86 DUT 0.418367 0.901408
87 5FU 0.417582 0.851351
88 2TU 0.411765 0.767123
89 UML 0.408163 0.871795
90 UPA 0.404959 0.857143
91 C2G 0.403846 0.916667
92 1GW 0.403361 0.88
93 APU 0.401639 0.820513
Similar Ligands (3D)
Ligand no: 1; Ligand: 660; 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 : 5L0U; Ligand: 660; 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: 5l0u.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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