Receptor
PDB id Resolution Class Description Source Keywords
3OH1 2.18 Å EC: 2.7.7.64 PROTEIN STRUCTURE OF USP FROM L. MAJOR BOUND TO URIDINE-5'- DIPHOSPHATE-GALACTURONIC ACID 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...
UGB A:642;
Valid;
none;
submit data
580.285 C15 H22 N2 O18 P2 C1=CN...
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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: UGB; Similar ligands found: 85
No: Ligand ECFP6 Tc MDL keys Tc
1 UGB 1 1
2 UGA 1 1
3 HP7 0.776596 0.985075
4 GDU 0.738636 0.985075
5 GUD 0.738636 0.985075
6 UPG 0.738636 0.985075
7 UFM 0.738636 0.985075
8 MJZ 0.731959 0.956522
9 USQ 0.698925 0.857143
10 UDX 0.677419 0.985075
11 UFG 0.677419 0.929577
12 UAD 0.677419 0.985075
13 U2F 0.659574 0.929577
14 UPF 0.659574 0.929577
15 G3N 0.65625 0.956522
16 UDP 0.654762 0.955224
17 UTP 0.651163 0.955224
18 UD1 0.65 0.970588
19 UD2 0.65 0.970588
20 U5F 0.643678 0.955224
21 F5G 0.640777 0.970588
22 F5P 0.640777 0.956522
23 UD4 0.640777 0.956522
24 UD7 0.637255 0.970588
25 UNP 0.629214 0.927536
26 EPZ 0.62037 0.956522
27 EEB 0.614679 0.942857
28 IUG 0.613208 0.846154
29 URM 0.610526 0.942029
30 660 0.610526 0.942029
31 UDZ 0.601852 0.891892
32 3UC 0.6 0.929577
33 EPU 0.6 0.942857
34 UPP 0.583333 0.955882
35 U5P 0.583333 0.940298
36 U 0.583333 0.940298
37 UDH 0.583333 0.853333
38 UPU 0.580645 0.955224
39 HWU 0.579439 0.915493
40 12V 0.579439 0.915493
41 UDM 0.567308 0.928571
42 44P 0.563218 0.914286
43 UMA 0.559322 0.956522
44 UD0 0.546154 0.857143
45 UDP UDP 0.544444 0.925373
46 2KH 0.537634 0.927536
47 U22 0.532258 0.825
48 U21 0.52 0.846154
49 U20 0.52 0.846154
50 Y6W 0.509804 0.902778
51 C5G 0.509615 0.929577
52 2QR 0.5 0.835443
53 4RA 0.496241 0.868421
54 UAG 0.492537 0.90411
55 GDX 0.486957 0.797468
56 UP5 0.478632 0.866667
57 U U 0.47619 0.941176
58 UUA 0.47619 0.787879
59 2GW 0.473214 0.942857
60 URI 0.464286 0.850746
61 4TC 0.458333 0.844156
62 1GW 0.457627 0.90411
63 UML 0.452055 0.846154
64 CXY 0.449541 0.929577
65 CJB 0.448276 0.835821
66 CSV 0.442478 0.864865
67 CSQ 0.442478 0.864865
68 U3P 0.434783 0.897059
69 UA3 0.434783 0.897059
70 PMP UD1 0.417266 0.822785
71 LSU 0.416667 0.729412
72 YSU 0.415929 0.759036
73 HF4 0.411765 0.901408
74 CTP 0.411765 0.901408
75 U4S 0.410526 0.743243
76 CDP 0.41 0.901408
77 U1S 0.409524 0.786667
78 0RC 0.409524 0.853333
79 TRH 0.40708 0.878378
80 18T 0.40708 0.878378
81 1JB 0.40708 0.878378
82 PUP 0.405405 0.873239
83 U2P 0.404255 0.911765
84 U3S 0.402062 0.767123
85 N3E 0.4 0.77027
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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