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 AND 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 AND 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 1256 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 1068 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 922 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: 86
No: Ligand ECFP6 Tc MDL keys Tc
1 UPF 1 1
2 U2F 1 1
3 UPG 0.797619 0.943662
4 UFM 0.797619 0.943662
5 GUD 0.797619 0.943662
6 GDU 0.797619 0.943662
7 UFG 0.790698 1
8 UD2 0.697917 0.930556
9 UD1 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 UGA 0.659574 0.929577
16 UGB 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 UNP 0.625 0.864865
22 URM 0.623656 0.90411
23 660 0.623656 0.90411
24 EPZ 0.616822 0.917808
25 MJZ 0.61165 0.891892
26 EEB 0.611111 0.905405
27 EPU 0.611111 0.905405
28 UD4 0.605769 0.891892
29 UD7 0.601942 0.90411
30 HP7 0.601942 0.916667
31 UPP 0.595745 0.890411
32 UDH 0.595745 0.822785
33 44P 0.595238 0.853333
34 IUG 0.59434 0.795181
35 UDP GAL 0.587629 0.916667
36 UDZ 0.583333 0.835443
37 UMA 0.568965 0.917808
38 2KH 0.566667 0.864865
39 UDM 0.563107 0.891892
40 12V 0.560748 0.88
41 HWU 0.560748 0.88
42 UDP UDP 0.556818 0.861111
43 Y6W 0.55102 0.868421
44 C5G 0.55 0.893333
45 U21 0.540984 0.817073
46 U22 0.540984 0.797619
47 U20 0.540984 0.817073
48 U 0.531646 0.816901
49 URI 0.531646 0.816901
50 UP5 0.513274 0.8125
51 2GW 0.509259 0.905405
52 UAG 0.5 0.87013
53 2QR 0.496063 0.807229
54 UA3 0.494253 0.861111
55 U3P 0.494253 0.861111
56 CJB 0.493976 0.802817
57 4TC 0.491379 0.792683
58 CSV 0.490741 0.833333
59 CSQ 0.490741 0.833333
60 U U 0.485437 0.876712
61 1GW 0.478261 0.87013
62 DKX 0.476744 0.830986
63 UD0 0.474074 0.804878
64 UMF 0.47191 0.888889
65 4RA 0.470149 0.814815
66 PUP 0.466667 0.84
67 U2P 0.460674 0.875
68 UML 0.458333 0.817073
69 A U 0.45 0.790123
70 CXY 0.444444 0.868421
71 CTP 0.434343 0.842105
72 CDP 0.43299 0.842105
73 CH 0.430108 0.815789
74 DUT 0.42 0.815789
75 U4S 0.419355 0.696203
76 5FU 0.419355 0.917808
77 7XL 0.417476 0.844156
78 DAU 0.410714 0.846154
79 U3S 0.410526 0.717949
80 U2S 0.410526 0.730769
81 5GW 0.409524 0.866667
82 DUD 0.408163 0.815789
83 UPA 0.406504 0.825
84 C2G 0.40566 0.855263
85 U1S 0.403846 0.7375
86 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: 43
This union binding pocket(no: 1) in the query (biounit: 2iw1.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1YXM ADE 0.0109 0.42059 1.9802
2 1RZU ADP 0.0001388 0.51581 2.13904
3 2IYA UDP 0.01987 0.4009 2.13904
4 2WTX UDP 0.000000469 0.56854 2.40642
5 2WTX VDO 0.000003832 0.52832 2.40642
6 3CV3 UDP 0.00002776 0.52451 2.6738
7 1NLM UD1 0.004198 0.42527 2.74725
8 2VCH UDP 0.002641 0.4094 2.94118
9 1QM5 PLP 0.000002048 0.55793 3.20856
10 1QM5 GLC GLC GLC PO4 SGC GLC 0.0001606 0.46641 3.20856
11 4F97 VDO 0.000159 0.45554 3.47594
12 1F6D UDP 0.02725 0.40126 3.47594
13 3ITJ CIT 0.01691 0.40314 3.5503
14 3RHZ UDP 0.007938 0.40924 3.83481
15 4N9Z V3L 0.003638 0.43325 4.01069
16 3LL5 IP8 0.0323 0.40609 4.01606
17 1J39 UPG 0.001231 0.42241 4.2735
18 1T3D CYS 0.03341 0.40327 4.27807
19 2IYF UDP 0.02732 0.40503 4.54545
20 4E28 9MZ 0.03201 0.40419 4.61538
21 1EM6 NBG 0.000009363 0.52781 5.08021
22 1XV5 UDP 0.0008855 0.46058 5.08021
23 3S2U UD1 0.00462 0.41301 5.47945
24 3Q3H UDP 0.02743 0.40112 5.88235
25 2ACV UDP 0.005571 0.42731 7.48663
26 1JAC AMG 0.03126 0.41214 9.02256
27 1UGY GLA BGC 0.03866 0.40319 9.02256
28 1WS4 GYP 0.03861 0.402 9.02256
29 3RLF MAL 0.03364 0.40034 9.7973
30 4PQG UDP 0.000001718 0.56612 11.2299
31 4PQG NAG 0.00008678 0.53293 11.2299
32 3HBN UDP 0.0002135 0.4162 13.8298
33 2IV3 UDP 0.0000008517 0.50998 14.6199
34 2QZS ADP 0.0000004004 0.44143 14.9733
35 2QZS 250 0.0000004004 0.44143 14.9733
36 2QZS GLC 0.0000004004 0.44143 14.9733
37 3TL1 JRO 0.03059 0.40649 15.0943
38 2QLU ADE 0.01619 0.42846 16.242
39 2GEK GDP 0.0002528 0.40678 16.5775
40 3IP8 B85 0.02453 0.40357 17.7419
41 3OKP GDD 0.0000004659 0.62126 23.5294
42 3OKA GDD 0.000002943 0.45101 24.147
43 2XA2 UPG 0.000005294 0.53895 24.8663
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