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@...
View in 3D viewer
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 (2D)
Ligand no: 1; Ligand: UAD; Similar ligands found: 89
No: Ligand ECFP6 Tc MDL keys Tc
1 UAD 1 1
2 UDX 1 1
3 G3N 0.804598 0.971014
4 GDU 0.715909 0.970588
5 UFM 0.715909 0.970588
6 UPG 0.715909 0.970588
7 AWU 0.707865 0.970588
8 USQ 0.695652 0.87013
9 UFG 0.692308 0.916667
10 UGB 0.677419 0.985075
11 UGA 0.677419 0.985075
12 CXY 0.677419 0.943662
13 U2F 0.673913 0.916667
14 UPF 0.673913 0.916667
15 UDP 0.670732 0.941176
16 UGF 0.670213 0.929577
17 UTP 0.666667 0.941176
18 U5F 0.658824 0.941176
19 UD1 0.63 0.956522
20 UD2 0.63 0.956522
21 UNP 0.625 0.914286
22 HP7 0.617647 0.970588
23 UD7 0.617647 0.956522
24 MJZ 0.61165 0.942857
25 UPU 0.611111 0.941176
26 F5P 0.605769 0.942857
27 UD4 0.605769 0.942857
28 F5G 0.605769 0.956522
29 EPZ 0.601852 0.942857
30 U5P 0.597561 0.926471
31 U 0.597561 0.926471
32 3UC 0.59596 0.916667
33 UDH 0.595745 0.866667
34 UPP 0.595745 0.942029
35 IUG 0.59434 0.835443
36 URM 0.589474 0.956522
37 660 0.589474 0.956522
38 UDZ 0.583333 0.88
39 2QR 0.583333 0.848101
40 EEB 0.581818 0.929577
41 44P 0.576471 0.928571
42 UDP UDP 0.574713 0.911765
43 EPU 0.567568 0.929577
44 12V 0.560748 0.902778
45 HWU 0.560748 0.902778
46 UMA 0.555556 0.942857
47 2KH 0.549451 0.914286
48 UDP GAL 0.54 0.942029
49 TDX 0.539216 0.90411
50 UDM 0.533333 0.942857
51 U22 0.504 0.8375
52 U20 0.504 0.858974
53 U21 0.504 0.858974
54 PUP 0.495146 0.887324
55 C5G 0.490385 0.916667
56 Y6W 0.490196 0.916667
57 UAG 0.488722 0.917808
58 UP5 0.486957 0.855263
59 URI 0.47561 0.838235
60 4RA 0.470149 0.857143
61 4TC 0.466102 0.857143
62 UD0 0.463235 0.846154
63 UML 0.458333 0.858974
64 2GW 0.455357 0.929577
65 CSQ 0.45045 0.853333
66 CSV 0.45045 0.853333
67 DUT 0.44898 0.887324
68 UA3 0.444444 0.884058
69 U3P 0.444444 0.884058
70 CJB 0.44186 0.823529
71 DUD 0.4375 0.887324
72 1GW 0.428571 0.891892
73 FZK 0.427184 0.780488
74 CTP 0.42 0.888889
75 HF4 0.42 0.888889
76 U4S 0.419355 0.733333
77 CDP 0.418367 0.888889
78 BUP 0.415842 0.876712
79 U2P 0.413043 0.898551
80 LSU 0.411215 0.741176
81 UTP U U U 0.411215 0.897059
82 U3S 0.410526 0.756757
83 U2S 0.410526 0.77027
84 UC5 0.408163 0.875
85 0RC 0.403846 0.866667
86 U1S 0.403846 0.776316
87 0FX 0.4 0.893333
88 DU 0.4 0.873239
89 UMP 0.4 0.873239
Similar Ligands (3D)
Ligand no: 1; Ligand: UAD; Similar ligands found: 1
No: Ligand Similarity coefficient
1 CDM 0.8607
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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