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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 26 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 23 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: 89
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 UFM 0.681818 0.956522
8 GUD 0.681818 0.956522
9 GDU 0.681818 0.956522
10 UPG 0.681818 0.956522
11 Y6W 0.674157 0.957747
12 UPU 0.670588 0.955882
13 U5P 0.662338 0.913043
14 U 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 UGA 0.610526 0.942029
20 UGB 0.610526 0.942029
21 UFG 0.606383 0.90411
22 2KH 0.604651 0.901408
23 UD1 0.6 0.942857
24 UD2 0.6 0.942857
25 UDH 0.597826 0.905405
26 USQ 0.59375 0.835443
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 URI 0.552632 0.852941
35 CJB 0.551282 0.838235
36 HWU 0.54717 0.916667
37 12V 0.54717 0.916667
38 EPZ 0.545455 0.929577
39 UD7 0.542857 0.915493
40 EPU 0.540541 0.916667
41 EEB 0.540541 0.916667
42 F5G 0.53271 0.915493
43 UD4 0.53271 0.902778
44 F5P 0.53271 0.902778
45 4TC 0.531532 0.846154
46 CSV 0.519231 0.866667
47 CSQ 0.519231 0.866667
48 UDZ 0.513514 0.844156
49 UP5 0.513514 0.844156
50 UA3 0.511905 0.898551
51 U3P 0.511905 0.898551
52 IUG 0.509091 0.802469
53 UMA 0.504202 0.929577
54 U U 0.5 0.914286
55 U22 0.491935 0.85
56 U21 0.48 0.871795
57 U20 0.48 0.871795
58 PUP 0.466019 0.928571
59 C5G 0.461538 0.90411
60 2QR 0.460938 0.8375
61 U2P 0.45977 0.913043
62 7XL 0.459184 0.90411
63 U2S 0.455556 0.783784
64 U4S 0.449438 0.746667
65 A U 0.449153 0.820513
66 CDP 0.446809 0.876712
67 UAG 0.444444 0.905405
68 DKX 0.44186 0.763889
69 G U 0.441667 0.780488
70 UD0 0.441176 0.8125
71 U3S 0.43956 0.77027
72 HF4 0.43299 0.876712
73 CTP 0.43299 0.876712
74 U1S 0.43 0.766234
75 2GW 0.428571 0.916667
76 4RA 0.426471 0.822785
77 UTP U U U 0.423077 0.884058
78 UMF 0.422222 0.821918
79 5GW 0.421569 0.902778
80 DUD 0.421053 0.901408
81 DUT 0.418367 0.901408
82 5FU 0.417582 0.851351
83 U U U U 0.413462 0.9
84 2TU 0.411765 0.767123
85 UML 0.408163 0.871795
86 UPA 0.404959 0.857143
87 C2G 0.403846 0.916667
88 1GW 0.403361 0.88
89 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 with APoc: 58
This union binding pocket(no: 1) in the query (biounit: 5l0u.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4JGP PYR None
2 3HAV ATP 1.67224
3 2PTM CMP 2.0202
4 3DAK ANP 2.41379
5 5X20 AOT 2.5641
6 4WS6 WBU 2.94118
7 4WNP 3RJ 3.48432
8 3OCP CMP 3.59712
9 6A4R ASP 3.77358
10 5A9A UTP 4.52675
11 1HSL HIS 5.46218
12 4LZB URA 5.88235
13 1ECM TSA 6.42202
14 1F6D UDP 6.44258
15 3TVQ DQH 6.50888
16 2MJP ANP 6.73575
17 1QXO EPS 7.2165
18 2F7A BEZ 7.75862
19 1UO4 PIH 8.82353
20 3DGY 2GP 9.27835
21 1P19 IMP 9.50226
22 3BMN AX3 9.52381
23 3L8H FX1 9.52381
24 4BTV RB3 9.52381
25 6H45 QEI 9.52381
26 1TZD ADP 9.52381
27 3X01 AMP 9.52381
28 1SQL GUN 9.58904
29 3I7V ATP 9.70149
30 2CHT TSA 11.0236
31 1ZEI CRS 11.3208
32 4INI AMP 11.5385
33 3CV3 UDP 11.9048
34 3SBZ MLI 11.9048
35 5VLQ ANP 11.9048
36 4I5I 4I5 11.9048
37 5JDA AMP 11.9048
38 6EJI UD2 11.9048
39 4CQK PIO 12.766
40 1H8P PC 12.844
41 2XOC ADP 13.41
42 1UDH URA 14.2857
43 2WTX VDO 14.2857
44 2WTX UDP 14.2857
45 5I85 PC 14.2857
46 5E5U MLI 14.2857
47 4F8L AES 16.6667
48 2BOS GLA GAL GLC NBU 16.6667
49 2BOS GLA GAL GLC 16.6667
50 2QX0 PH2 16.6667
51 1Q7L GLY 16.6667
52 2BVE PH5 18.4874
53 3RSC TYD 19.0476
54 5D6T NGA 19.0476
55 3IAA TYD 19.0476
56 3NBC LAT 19.0476
57 4YGM URA 21.1538
58 2INV FRU FRU 21.4286
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