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 (2D)
Ligand no: 1; Ligand: UGB; Similar ligands found: 88
No: Ligand ECFP6 Tc MDL keys Tc
1 UGB 1 1
2 UGA 1 1
3 UGF 0.806818 0.942857
4 HP7 0.776596 0.985075
5 AWU 0.770115 0.985075
6 UFM 0.738636 0.985075
7 UPG 0.738636 0.985075
8 GDU 0.738636 0.985075
9 MJZ 0.731959 0.956522
10 USQ 0.698925 0.857143
11 UFG 0.677419 0.929577
12 UDX 0.677419 0.985075
13 UAD 0.677419 0.985075
14 UPF 0.659574 0.929577
15 U2F 0.659574 0.929577
16 G3N 0.65625 0.956522
17 UDP 0.654762 0.955224
18 UTP 0.651163 0.955224
19 UD1 0.65 0.970588
20 UD2 0.65 0.970588
21 U5F 0.643678 0.955224
22 UD4 0.640777 0.956522
23 F5G 0.640777 0.970588
24 F5P 0.640777 0.956522
25 UD7 0.637255 0.970588
26 UNP 0.629214 0.927536
27 EPZ 0.62037 0.956522
28 EEB 0.614679 0.942857
29 IUG 0.613208 0.846154
30 URM 0.610526 0.942029
31 660 0.610526 0.942029
32 UDZ 0.601852 0.891892
33 3UC 0.6 0.929577
34 EPU 0.6 0.942857
35 UPP 0.583333 0.955882
36 U5P 0.583333 0.940298
37 U 0.583333 0.940298
38 UDH 0.583333 0.853333
39 UPU 0.580645 0.955224
40 12V 0.579439 0.915493
41 HWU 0.579439 0.915493
42 UDM 0.567308 0.928571
43 44P 0.563218 0.914286
44 UMA 0.559322 0.956522
45 UD0 0.546154 0.857143
46 UDP GAL 0.544554 0.955882
47 UDP UDP 0.544444 0.925373
48 2KH 0.537634 0.927536
49 U22 0.532258 0.825
50 U21 0.52 0.846154
51 U20 0.52 0.846154
52 Y6W 0.509804 0.902778
53 C5G 0.509615 0.929577
54 2QR 0.5 0.835443
55 4RA 0.496241 0.868421
56 UAG 0.492537 0.90411
57 GDX 0.486957 0.797468
58 UP5 0.478632 0.866667
59 UUA 0.47619 0.787879
60 2GW 0.473214 0.942857
61 URI 0.464286 0.850746
62 4TC 0.458333 0.844156
63 1GW 0.457627 0.90411
64 UML 0.452055 0.846154
65 CXY 0.449541 0.929577
66 CJB 0.448276 0.835821
67 CSQ 0.442478 0.864865
68 CSV 0.442478 0.864865
69 UA3 0.434783 0.897059
70 U3P 0.434783 0.897059
71 FZK 0.432692 0.768293
72 PMP UD1 0.417266 0.822785
73 LSU 0.416667 0.729412
74 YSU 0.415929 0.759036
75 CTP 0.411765 0.901408
76 HF4 0.411765 0.901408
77 U4S 0.410526 0.743243
78 CDP 0.41 0.901408
79 0RC 0.409524 0.853333
80 U1S 0.409524 0.786667
81 BUP 0.407767 0.888889
82 1JB 0.40708 0.878378
83 18T 0.40708 0.878378
84 TRH 0.40708 0.878378
85 PUP 0.405405 0.873239
86 U2P 0.404255 0.911765
87 U3S 0.402062 0.767123
88 N3E 0.4 0.77027
Similar Ligands (3D)
Ligand no: 1; Ligand: UGB; Similar ligands found: 0
No: Ligand Similarity coefficient
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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