Receptor
PDB id Resolution Class Description Source Keywords
2IW1 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF WAAG, A GLYCOSYLTRANSFERASE INVOLVED IN LIPOPOLYSACCHARIDE BIOSYNTHESIS ESCHERICHIA COLI TRANSFERASE LIPOPOLYSACCHARIDE BIOSYNTHESIS FAMILY GT-4 GLYCOSYLTRANSFERASE LPS RETAINING UDP-GLUCOSE
Ref.: INSIGHTS INTO THE SYNTHESIS OF LIPOPOLYSACCHARIDE A ANTIBIOTICS THROUGH THE STRUCTURES OF TWO RETAINING GLYCOSYLTRANSFERASES FROM FAMILY GT4 CHEM.BIOL. V. 13 1143 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
U2F A:900;
Valid;
none;
submit data
568.293 C15 H23 F N2 O16 P2 C1=CN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2IW1 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF WAAG, A GLYCOSYLTRANSFERASE INVOLVED IN LIPOPOLYSACCHARIDE BIOSYNTHESIS ESCHERICHIA COLI TRANSFERASE LIPOPOLYSACCHARIDE BIOSYNTHESIS FAMILY GT-4 GLYCOSYLTRANSFERASE LPS RETAINING UDP-GLUCOSE
Ref.: INSIGHTS INTO THE SYNTHESIS OF LIPOPOLYSACCHARIDE A ANTIBIOTICS THROUGH THE STRUCTURES OF TWO RETAINING GLYCOSYLTRANSFERASES FROM FAMILY GT4 CHEM.BIOL. V. 13 1143 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2IV7 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 2IW1 - U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 2IV7 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 2IW1 - U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2IV7 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 2IW1 - U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: U2F; Similar ligands found: 88
No: Ligand ECFP6 Tc MDL keys Tc
1 U2F 1 1
2 UPF 1 1
3 UPG 0.797619 0.943662
4 GUD 0.797619 0.943662
5 UFM 0.797619 0.943662
6 GDU 0.797619 0.943662
7 UFG 0.790698 1
8 UD1 0.697917 0.930556
9 UD2 0.697917 0.930556
10 UDP 0.691358 0.888889
11 UTP 0.686747 0.888889
12 USQ 0.677419 0.804878
13 UAD 0.673913 0.916667
14 UDX 0.673913 0.916667
15 UGB 0.659574 0.929577
16 UGA 0.659574 0.929577
17 G3N 0.652632 0.891892
18 UPU 0.647727 0.915493
19 3UC 0.645833 1
20 U5P 0.6375 0.875
21 U 0.6375 0.875
22 UNP 0.625 0.864865
23 660 0.623656 0.90411
24 URM 0.623656 0.90411
25 EPZ 0.616822 0.917808
26 MJZ 0.61165 0.891892
27 EEB 0.611111 0.905405
28 EPU 0.611111 0.905405
29 F5P 0.605769 0.891892
30 UD4 0.605769 0.891892
31 HP7 0.601942 0.916667
32 UD7 0.601942 0.90411
33 UDH 0.595745 0.822785
34 UPP 0.595745 0.890411
35 44P 0.595238 0.853333
36 IUG 0.59434 0.795181
37 F5G 0.590476 0.90411
38 UDZ 0.583333 0.835443
39 UMA 0.568965 0.917808
40 2KH 0.566667 0.864865
41 UDM 0.563107 0.891892
42 12V 0.560748 0.88
43 HWU 0.560748 0.88
44 UDP UDP 0.556818 0.861111
45 Y6W 0.55102 0.868421
46 C5G 0.55 0.893333
47 U21 0.540984 0.817073
48 U20 0.540984 0.817073
49 U22 0.540984 0.797619
50 URI 0.531646 0.816901
51 UP5 0.513274 0.8125
52 2GW 0.509259 0.905405
53 UAG 0.5 0.87013
54 2QR 0.496063 0.807229
55 U3P 0.494253 0.861111
56 UA3 0.494253 0.861111
57 CJB 0.493976 0.802817
58 4TC 0.491379 0.792683
59 CSV 0.490741 0.833333
60 CSQ 0.490741 0.833333
61 U U 0.485437 0.876712
62 1GW 0.478261 0.87013
63 DKX 0.476744 0.830986
64 UD0 0.474074 0.804878
65 UMF 0.47191 0.888889
66 4RA 0.470149 0.814815
67 PUP 0.466667 0.84
68 U2P 0.460674 0.875
69 UML 0.458333 0.817073
70 A U 0.45 0.790123
71 CXY 0.444444 0.868421
72 HF4 0.434343 0.842105
73 CTP 0.434343 0.842105
74 CDP 0.43299 0.842105
75 G U 0.430894 0.752941
76 DUT 0.42 0.815789
77 5FU 0.419355 0.917808
78 U4S 0.419355 0.696203
79 7XL 0.417476 0.844156
80 DAU 0.410714 0.846154
81 U2S 0.410526 0.730769
82 U3S 0.410526 0.717949
83 5GW 0.409524 0.866667
84 DUD 0.408163 0.815789
85 UPA 0.406504 0.825
86 C2G 0.40566 0.855263
87 U1S 0.403846 0.7375
88 U U U U 0.401869 0.863014
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2IW1; Ligand: U2F; 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: 2iw1.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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