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: 89
No: Ligand ECFP6 Tc MDL keys Tc
1 UDX 1 1
2 UAD 1 1
3 G3N 0.804598 0.971014
4 UPG 0.715909 0.970588
5 GUD 0.715909 0.970588
6 GDU 0.715909 0.970588
7 UFM 0.715909 0.970588
8 USQ 0.695652 0.87013
9 UFG 0.692308 0.916667
10 UGB 0.677419 0.985075
11 CXY 0.677419 0.943662
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 U5F 0.658824 0.941176
18 UD1 0.63 0.956522
19 UD2 0.63 0.956522
20 UNP 0.625 0.914286
21 HP7 0.617647 0.970588
22 UD7 0.617647 0.956522
23 MJZ 0.61165 0.942857
24 UPU 0.611111 0.941176
25 UD4 0.605769 0.942857
26 F5P 0.605769 0.942857
27 F5G 0.605769 0.956522
28 EPZ 0.601852 0.942857
29 U 0.597561 0.926471
30 U5P 0.597561 0.926471
31 3UC 0.59596 0.916667
32 UDH 0.595745 0.866667
33 UPP 0.595745 0.942029
34 IUG 0.59434 0.835443
35 URM 0.589474 0.956522
36 660 0.589474 0.956522
37 UDZ 0.583333 0.88
38 2QR 0.583333 0.848101
39 EEB 0.581818 0.929577
40 44P 0.576471 0.928571
41 UDP UDP 0.574713 0.911765
42 EPU 0.567568 0.929577
43 12V 0.560748 0.902778
44 HWU 0.560748 0.902778
45 UMA 0.555556 0.942857
46 2KH 0.549451 0.914286
47 TDX 0.539216 0.90411
48 UDM 0.533333 0.942857
49 U20 0.504 0.858974
50 U21 0.504 0.858974
51 U22 0.504 0.8375
52 PUP 0.495146 0.887324
53 C5G 0.490385 0.916667
54 Y6W 0.490196 0.916667
55 UAG 0.488722 0.917808
56 UP5 0.486957 0.855263
57 U U 0.485437 0.927536
58 URI 0.47561 0.838235
59 4RA 0.470149 0.857143
60 4TC 0.466102 0.857143
61 UD0 0.463235 0.846154
62 UML 0.458333 0.858974
63 2GW 0.455357 0.929577
64 CSQ 0.45045 0.853333
65 CSV 0.45045 0.853333
66 DUT 0.44898 0.887324
67 UA3 0.444444 0.884058
68 U3P 0.444444 0.884058
69 CJB 0.44186 0.823529
70 DUD 0.4375 0.887324
71 1GW 0.428571 0.891892
72 HF4 0.42 0.888889
73 CTP 0.42 0.888889
74 U4S 0.419355 0.733333
75 CDP 0.418367 0.888889
76 A U 0.414634 0.807692
77 U2P 0.413043 0.898551
78 UTP U U U 0.411215 0.897059
79 LSU 0.411215 0.741176
80 U2S 0.410526 0.77027
81 U3S 0.410526 0.756757
82 UC5 0.408163 0.875
83 G U 0.408 0.768293
84 0RC 0.403846 0.866667
85 U1S 0.403846 0.776316
86 U U U U 0.401869 0.913043
87 UMP 0.4 0.873239
88 0FX 0.4 0.893333
89 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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