Receptor
PDB id Resolution Class Description Source Keywords
2C1Z 1.9 Å EC: 2.4.1.91 STRUCTURE AND ACTIVITY OF A FLAVONOID 3-O GLUCOSYLTRANSFERASE REVEALS THE BASIS FOR PLANT NATURAL P RODUCT MODIFICATION VITIS VINIFERA GLYCOSYLTRANSFERASE FLAVONOID WINE CATALYSIS GLYCOSYLATION TRANSFERASE
Ref.: STRUCTURE OF A FLAVONOID GLUCOSYLTRANSFERASE REVEALS THE BASIS FOR PLANT NATURAL PRODUCT MODIFICATION. EMBO J. V. 25 1396 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KMP A:1456;
Valid;
none;
submit data
286.236 C15 H10 O6 c1cc(...
U2F A:1457;
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
2C1X 1.9 Å EC: 2.4.1.91 STRUCTURE AND ACTIVITY OF A FLAVONOID 3-O GLUCOSYLTRANSFERASE REVEALS THE BASIS FOR PLANT NATURAL P RODUCT MODIFICATION VITIS VINIFERA GLYCOSYLTRANSFERASE FLAVONOID WINE CATALYSIS GLYCOSYLATION TRANSFERASE
Ref.: STRUCTURE OF A FLAVONOID GLUCOSYLTRANSFERASE REVEALS THE BASIS FOR PLANT NATURAL PRODUCT MODIFICATION. EMBO J. V. 25 1396 2006
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2C1X - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 2C9Z - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 2C1Z - U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2C1X - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 2C9Z - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 2C1Z - U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4REL - KMP C15 H10 O6 c1cc(ccc1C....
2 4WHM - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 3HBF - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 3HBJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
5 2C1X - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
6 2C9Z - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
7 2C1Z - U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KMP; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 KMP 1 1
2 QUE 0.678571 0.967742
3 MYC 0.642857 0.967742
4 MRI 0.603448 1
5 IRH 0.59375 0.909091
6 CC6 0.532258 1
7 AFE 0.48 0.857143
8 AGI 0.444444 0.933333
9 GEN 0.4375 0.935484
10 J8G 0.426471 0.852941
11 SL0 0.418605 0.833333
Ligand no: 2; Ligand: U2F; Similar ligands found: 91
No: Ligand ECFP6 Tc MDL keys Tc
1 UPF 1 1
2 U2F 1 1
3 GDU 0.797619 0.943662
4 UFM 0.797619 0.943662
5 UPG 0.797619 0.943662
6 GUD 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 U5F 0.678571 0.888889
13 USQ 0.677419 0.804878
14 UDX 0.673913 0.916667
15 UAD 0.673913 0.916667
16 UGA 0.659574 0.929577
17 UGB 0.659574 0.929577
18 G3N 0.652632 0.891892
19 UPU 0.647727 0.915493
20 3UC 0.645833 1
21 U5P 0.6375 0.875
22 U 0.6375 0.875
23 UNP 0.625 0.864865
24 URM 0.623656 0.90411
25 660 0.623656 0.90411
26 EPZ 0.616822 0.917808
27 MJZ 0.61165 0.891892
28 EPU 0.611111 0.905405
29 EEB 0.611111 0.905405
30 F5P 0.605769 0.891892
31 UD4 0.605769 0.891892
32 HP7 0.601942 0.916667
33 UD7 0.601942 0.90411
34 UPP 0.595745 0.890411
35 UDH 0.595745 0.822785
36 44P 0.595238 0.853333
37 IUG 0.59434 0.795181
38 F5G 0.590476 0.90411
39 UDZ 0.583333 0.835443
40 UMA 0.568965 0.917808
41 2KH 0.566667 0.864865
42 UDM 0.563107 0.891892
43 HWU 0.560748 0.88
44 12V 0.560748 0.88
45 UDP UDP 0.556818 0.861111
46 Y6W 0.55102 0.868421
47 C5G 0.55 0.893333
48 U20 0.540984 0.817073
49 U22 0.540984 0.797619
50 U21 0.540984 0.817073
51 URI 0.531646 0.816901
52 UP5 0.513274 0.8125
53 2GW 0.509259 0.905405
54 UAG 0.5 0.87013
55 2QR 0.496063 0.807229
56 UA3 0.494253 0.861111
57 U3P 0.494253 0.861111
58 CJB 0.493976 0.802817
59 4TC 0.491379 0.792683
60 CSV 0.490741 0.833333
61 CSQ 0.490741 0.833333
62 U U 0.485437 0.876712
63 1GW 0.478261 0.87013
64 DKX 0.476744 0.830986
65 UD0 0.474074 0.804878
66 UMF 0.47191 0.888889
67 4RA 0.470149 0.814815
68 PUP 0.466667 0.84
69 U2P 0.460674 0.875
70 UML 0.458333 0.817073
71 A U 0.45 0.790123
72 CXY 0.444444 0.868421
73 CTP 0.434343 0.842105
74 HF4 0.434343 0.842105
75 CDP 0.43299 0.842105
76 G U 0.430894 0.752941
77 DUT 0.42 0.815789
78 5FU 0.419355 0.917808
79 U4S 0.419355 0.696203
80 7XL 0.417476 0.844156
81 0RC 0.417476 0.822785
82 LSU 0.411215 0.688889
83 DAU 0.410714 0.846154
84 U2S 0.410526 0.730769
85 U3S 0.410526 0.717949
86 5GW 0.409524 0.866667
87 DUD 0.408163 0.815789
88 UPA 0.406504 0.825
89 C2G 0.40566 0.855263
90 U1S 0.403846 0.7375
91 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 : 2C1X; Ligand: UDP; Similar sites found with APoc: 7
This union binding pocket(no: 1) in the query (biounit: 2c1x.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 2IYF UDP 5.78313
2 2ACV UDP 39.9123
3 2ACV UDP 39.9123
4 5V2J 7WV 49.5614
5 5V2J 7WV 49.5614
6 5V2J UDP 49.5614
7 5V2J UDP 49.5614
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