Receptor
PDB id Resolution Class Description Source Keywords
3OH3 2.03 Å EC: 2.7.7.64 PROTEIN STRUCTURE OF USP FROM L. MAJOR BOUND TO URIDINE-5'-D -ARABINOSE LEISHMANIA MAJOR LEFT HANDED BETA HELIX ROSSMANN FOLD UDP SUGAR PYROPHOSPHOTRANSFERASE
Ref.: STRUCTURAL BASIS FOR THE BROAD SUBSTRATE RANGE OF T UDP-SUGAR PYROPHOSPHORYLASE FROM LEISHMANIA MAJOR. J.MOL.BIOL. V. 405 461 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:643;
A:644;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
UAD A:642;
Valid;
none;
submit data
536.276 C14 H22 N2 O16 P2 C1[C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3OH3 2.03 Å EC: 2.7.7.64 PROTEIN STRUCTURE OF USP FROM L. MAJOR BOUND TO URIDINE-5'-D -ARABINOSE LEISHMANIA MAJOR LEFT HANDED BETA HELIX ROSSMANN FOLD UDP SUGAR PYROPHOSPHOTRANSFERASE
Ref.: STRUCTURAL BASIS FOR THE BROAD SUBSTRATE RANGE OF T UDP-SUGAR PYROPHOSPHORYLASE FROM LEISHMANIA MAJOR. J.MOL.BIOL. V. 405 461 2011
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3OH2 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
2 3OH4 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
3 3OH1 - UGB C15 H22 N2 O18 P2 C1=CN(C(=O....
4 3OH0 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
5 3OH3 - UAD C14 H22 N2 O16 P2 C1[C@@H]([....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3OH2 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
2 3OH4 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
3 3OH1 - UGB C15 H22 N2 O18 P2 C1=CN(C(=O....
4 3OH0 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
5 3OH3 - UAD C14 H22 N2 O16 P2 C1[C@@H]([....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3OH2 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
2 3OH4 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
3 3OH1 - UGB C15 H22 N2 O18 P2 C1=CN(C(=O....
4 3OH0 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
5 3OH3 - UAD C14 H22 N2 O16 P2 C1[C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UAD; Similar ligands found: 86
No: Ligand ECFP6 Tc MDL keys Tc
1 UDX 1 1
2 UAD 1 1
3 G3N 0.804598 0.971014
4 GUD 0.715909 0.970588
5 GDU 0.715909 0.970588
6 UPG 0.715909 0.970588
7 UFM 0.715909 0.970588
8 USQ 0.695652 0.87013
9 UFG 0.692308 0.916667
10 CXY 0.677419 0.943662
11 UGB 0.677419 0.985075
12 UGA 0.677419 0.985075
13 UPF 0.673913 0.916667
14 U2F 0.673913 0.916667
15 UDP 0.670732 0.941176
16 UTP 0.666667 0.941176
17 UD1 0.63 0.956522
18 UD2 0.63 0.956522
19 UNP 0.625 0.914286
20 UD7 0.617647 0.956522
21 HP7 0.617647 0.970588
22 MJZ 0.61165 0.942857
23 UPU 0.611111 0.941176
24 UD4 0.605769 0.942857
25 F5G 0.605769 0.956522
26 F5P 0.605769 0.942857
27 EPZ 0.601852 0.942857
28 U5P 0.597561 0.926471
29 U 0.597561 0.926471
30 3UC 0.59596 0.916667
31 UPP 0.595745 0.942029
32 UDH 0.595745 0.866667
33 IUG 0.59434 0.835443
34 URM 0.589474 0.956522
35 660 0.589474 0.956522
36 2QR 0.583333 0.848101
37 UDZ 0.583333 0.88
38 EEB 0.581818 0.929577
39 44P 0.576471 0.928571
40 UDP UDP 0.574713 0.911765
41 EPU 0.567568 0.929577
42 12V 0.560748 0.902778
43 HWU 0.560748 0.902778
44 UMA 0.555556 0.942857
45 2KH 0.549451 0.914286
46 TDX 0.539216 0.90411
47 UDM 0.533333 0.942857
48 U21 0.504 0.858974
49 U20 0.504 0.858974
50 U22 0.504 0.8375
51 PUP 0.495146 0.887324
52 C5G 0.490385 0.916667
53 Y6W 0.490196 0.916667
54 UAG 0.488722 0.917808
55 UP5 0.486957 0.855263
56 U U 0.485437 0.927536
57 URI 0.47561 0.838235
58 4RA 0.470149 0.857143
59 4TC 0.466102 0.857143
60 UD0 0.463235 0.846154
61 UML 0.458333 0.858974
62 2GW 0.455357 0.929577
63 CSV 0.45045 0.853333
64 CSQ 0.45045 0.853333
65 DUT 0.44898 0.887324
66 U3P 0.444444 0.884058
67 UA3 0.444444 0.884058
68 CJB 0.44186 0.823529
69 DUD 0.4375 0.887324
70 1GW 0.428571 0.891892
71 HF4 0.42 0.888889
72 CTP 0.42 0.888889
73 U4S 0.419355 0.733333
74 CDP 0.418367 0.888889
75 A U 0.414634 0.807692
76 U2P 0.413043 0.898551
77 UTP U U U 0.411215 0.897059
78 U2S 0.410526 0.77027
79 U3S 0.410526 0.756757
80 UC5 0.408163 0.875
81 G U 0.408 0.768293
82 U1S 0.403846 0.776316
83 U U U U 0.401869 0.913043
84 UMP 0.4 0.873239
85 0FX 0.4 0.893333
86 DU 0.4 0.873239
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3OH3; Ligand: UAD; 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: 3oh3.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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