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...
View in 3D viewer
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 1610 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 1331 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 1144 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 (2D)
Ligand no: 1; Ligand: U2F; Similar ligands found: 91
No: Ligand ECFP6 Tc MDL keys Tc
1 U2F 1 1
2 UPF 1 1
3 GDU 0.797619 0.943662
4 UFM 0.797619 0.943662
5 UPG 0.797619 0.943662
6 UFG 0.790698 1
7 UGF 0.725275 0.985915
8 UD1 0.697917 0.930556
9 UD2 0.697917 0.930556
10 UDP 0.691358 0.888889
11 AWU 0.688889 0.916667
12 UTP 0.686747 0.888889
13 U5F 0.678571 0.888889
14 USQ 0.677419 0.804878
15 UAD 0.673913 0.916667
16 UDX 0.673913 0.916667
17 UGB 0.659574 0.929577
18 UGA 0.659574 0.929577
19 G3N 0.652632 0.891892
20 UPU 0.647727 0.915493
21 3UC 0.645833 1
22 U5P 0.6375 0.875
23 U 0.6375 0.875
24 UNP 0.625 0.864865
25 URM 0.623656 0.90411
26 660 0.623656 0.90411
27 EPZ 0.616822 0.917808
28 MJZ 0.61165 0.891892
29 EPU 0.611111 0.905405
30 EEB 0.611111 0.905405
31 F5P 0.605769 0.891892
32 UD4 0.605769 0.891892
33 HP7 0.601942 0.916667
34 UD7 0.601942 0.90411
35 UDH 0.595745 0.822785
36 UPP 0.595745 0.890411
37 44P 0.595238 0.853333
38 IUG 0.59434 0.795181
39 F5G 0.590476 0.90411
40 UDP GAL 0.587629 0.916667
41 UDZ 0.583333 0.835443
42 UMA 0.568965 0.917808
43 2KH 0.566667 0.864865
44 UDM 0.563107 0.891892
45 HWU 0.560748 0.88
46 12V 0.560748 0.88
47 UDP UDP 0.556818 0.861111
48 Y6W 0.55102 0.868421
49 C5G 0.55 0.893333
50 U21 0.540984 0.817073
51 U22 0.540984 0.797619
52 U20 0.540984 0.817073
53 URI 0.531646 0.816901
54 UP5 0.513274 0.8125
55 2GW 0.509259 0.905405
56 UAG 0.5 0.87013
57 2QR 0.496063 0.807229
58 UA3 0.494253 0.861111
59 U3P 0.494253 0.861111
60 CJB 0.493976 0.802817
61 4TC 0.491379 0.792683
62 CSQ 0.490741 0.833333
63 CSV 0.490741 0.833333
64 1GW 0.478261 0.87013
65 DKX 0.476744 0.830986
66 UD0 0.474074 0.804878
67 UMF 0.47191 0.888889
68 4RA 0.470149 0.814815
69 PUP 0.466667 0.84
70 U2P 0.460674 0.875
71 UML 0.458333 0.817073
72 CXY 0.444444 0.868421
73 HF4 0.434343 0.842105
74 CTP 0.434343 0.842105
75 CDP 0.43299 0.842105
76 BUP 0.43 0.905405
77 FZK 0.427184 0.744186
78 DUT 0.42 0.815789
79 5FU 0.419355 0.917808
80 U4S 0.419355 0.696203
81 7XL 0.417476 0.844156
82 0RC 0.417476 0.822785
83 LSU 0.411215 0.688889
84 DAU 0.410714 0.846154
85 U3S 0.410526 0.717949
86 U2S 0.410526 0.730769
87 5GW 0.409524 0.866667
88 DUD 0.408163 0.815789
89 UPA 0.406504 0.825
90 C2G 0.40566 0.855263
91 U1S 0.403846 0.7375
Similar Ligands (3D)
Ligand no: 1; Ligand: U2F; Similar ligands found: 1
No: Ligand Similarity coefficient
1 3R2 0.8631
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
APoc FAQ
Feedback