Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
B3P A:1458;
Invalid;
none;
submit data
282.334 C11 H26 N2 O6 C(CNC...
UDP A:1457;
Valid;
none;
submit data
404.161 C9 H14 N2 O12 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 922 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: UDP; Similar ligands found: 116
No: Ligand ECFP6 Tc MDL keys Tc
1 UDP 1 1
2 UTP 0.892308 1
3 UNP 0.8 0.970149
4 U5P 0.78125 0.984615
5 UPU 0.72973 0.940298
6 2KH 0.722222 0.970149
7 44P 0.720588 0.955882
8 URM 0.717949 0.927536
9 GUD 0.717949 0.941176
10 GDU 0.717949 0.941176
11 UFM 0.717949 0.941176
12 UPG 0.717949 0.941176
13 660 0.717949 0.927536
14 UDP UDP 0.714286 0.939394
15 UDH 0.705128 0.864865
16 UPP 0.705128 0.941176
17 UPF 0.691358 0.888889
18 U2F 0.691358 0.888889
19 UFG 0.691358 0.888889
20 UDX 0.670732 0.941176
21 UAD 0.670732 0.941176
22 3UC 0.658824 0.888889
23 USQ 0.654762 0.820513
24 UGB 0.654762 0.955224
25 UGA 0.654762 0.955224
26 G3N 0.647059 0.914286
27 UDM 0.636364 0.914286
28 URI 0.625 0.863636
29 U 0.625 0.863636
30 UD1 0.622222 0.927536
31 UD2 0.622222 0.927536
32 UDP GAL 0.611765 0.913043
33 Y6W 0.607143 0.888889
34 CDP 0.605263 0.942029
35 UD7 0.591398 0.927536
36 HP7 0.591398 0.941176
37 MJZ 0.585106 0.914286
38 IUG 0.583333 0.810127
39 12V 0.578947 0.901408
40 HWU 0.578947 0.901408
41 UD4 0.578947 0.914286
42 CJB 0.573529 0.820895
43 UDZ 0.571429 0.853333
44 DUD 0.571429 0.913043
45 UP5 0.571429 0.853333
46 U U 0.563218 0.955224
47 EPZ 0.56 0.914286
48 5GW 0.559524 0.942029
49 EPU 0.554455 0.901408
50 EEB 0.554455 0.901408
51 UA3 0.547945 0.939394
52 U3P 0.547945 0.939394
53 CH 0.546667 0.913043
54 4TC 0.544554 0.831169
55 CTP 0.54321 0.942029
56 CSV 0.531915 0.851351
57 CSQ 0.531915 0.851351
58 DUT 0.52439 0.913043
59 4GW 0.516484 0.915493
60 UMA 0.513761 0.914286
61 U4S 0.513158 0.753425
62 U2P 0.506667 0.954545
63 U2S 0.5 0.767123
64 U3S 0.5 0.753425
65 PUP 0.48913 0.913043
66 U22 0.486957 0.790123
67 U21 0.486957 0.810127
68 U20 0.486957 0.810127
69 DKX 0.486486 0.746479
70 U1S 0.482759 0.75
71 A U 0.481132 0.805195
72 2QR 0.478632 0.822785
73 5FU 0.474359 0.914286
74 8OD 0.47191 0.851351
75 C5G 0.468085 0.888889
76 7XL 0.465909 0.888889
77 U U U U 0.461538 0.940298
78 UMF 0.461538 0.857143
79 G8D 0.460674 0.855263
80 UTP U U U 0.456522 0.895522
81 2TU 0.452055 0.774648
82 4RA 0.451613 0.855263
83 C2G 0.450549 0.901408
84 DU 0.45 0.898551
85 CAR 0.45 0.927536
86 C 0.45 0.927536
87 C5P 0.45 0.927536
88 UMP 0.45 0.898551
89 UAG 0.448 0.864865
90 CDC 0.446809 0.777778
91 UD0 0.444444 0.844156
92 5BU 0.444444 0.914286
93 N3E 0.440476 0.733333
94 UC5 0.440476 0.9
95 UUA 0.438356 0.772727
96 DUP 0.431818 0.887324
97 2GW 0.431373 0.901408
98 M7G 0.430108 0.780488
99 CNU 0.428571 0.927536
100 CDM 0.427083 0.842105
101 H6Y 0.425532 0.851351
102 16B 0.421687 0.888889
103 S5P 0.419753 0.915493
104 8GT 0.419355 0.855263
105 CXY 0.418367 0.888889
106 UPA 0.418182 0.842105
107 CDP MG 0.413793 0.849315
108 U2G 0.410714 0.822785
109 U A A U 0.409836 0.842105
110 UML 0.408759 0.810127
111 UP6 0.407407 0.871429
112 M7M 0.40625 0.771084
113 PMP UD1 0.404762 0.794872
114 1GW 0.40367 0.864865
115 BMP 0.402439 0.970149
116 APU 0.401786 0.828947
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2C1X; Ligand: UDP; Similar sites found: 45
This union binding pocket(no: 1) in the query (biounit: 2c1x.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WMX THR 0.02044 0.40597 1.67598
2 4B1X LAB 0.03531 0.40928 1.8617
3 2VOH CIT 0.01292 0.45638 1.91083
4 4X8D AVI 0.03029 0.41865 2.01342
5 3S2U UD1 0.0002525 0.48058 2.19178
6 4OFJ HIS 0.03305 0.41082 2.19298
7 4X7R UDP 0.0202 0.40148 2.41228
8 4WZ6 ATP 0.03142 0.418 2.41379
9 2J5V PCA 0.0143 0.44258 2.45232
10 3CV2 OXL 0.02559 0.4301 2.63158
11 1T9D P22 0.03744 0.41181 2.85088
12 2X8S AHR AHR AHR 0.04039 0.40999 2.85088
13 5HWK BEZ 0.03147 0.41615 2.91667
14 5HSS 650 0.04955 0.40136 2.96496
15 4BA5 PXG 0.02334 0.4046 3.05011
16 1RRV TYD 0.002748 0.44549 3.36538
17 3NHB ADP 0.0341 0.41547 3.59477
18 2BKX F6R 0.01162 0.42288 4.54545
19 4PPF FLC 0.04409 0.4168 4.57143
20 3B9Q MLI 0.0479 0.4117 4.96689
21 3OTI TYD 0.00003582 0.40926 5.02513
22 1Q8S MAN MMA 0.04474 0.40465 5.15873
23 3UYK 0CX 0.001572 0.40344 5.42636
24 1FS5 TLA 0.02506 0.40309 5.6391
25 1DDU DDU 0.01461 0.42971 5.66038
26 5W3Y ACO 0.04439 0.40624 5.68182
27 2IYF UDP 0.00000015 0.44329 5.78313
28 1YLH PYR 0.03202 0.41087 5.92105
29 3OTH TYD 0.000002212 0.5984 6.06796
30 3OTH CLJ 0.000004361 0.47099 6.06796
31 1VJ7 GPX 0.01928 0.41004 6.87023
32 2ZQO NGA 0.03687 0.41311 6.92308
33 3RSC TYD 0.00007952 0.40334 7.22892
34 2RC8 DSN 0.02687 0.41495 8.16327
35 2NUN ADP 0.01315 0.43213 8.66873
36 1NSA BEN 0.02437 0.41412 11.1392
37 5V3D FCN 0.01987 0.42319 11.7241
38 2IYA UDP 0.00000002786 0.46622 12.2642
39 4RIF 3R2 0.00004218 0.49276 14.0351
40 3H4T UDP 0.000009635 0.42765 16.3366
41 5TME UDP 0.0000000096 0.7437 37.9015
42 2ACV UDP 0.00000001167 0.46919 39.9123
43 2VCH UDP 0.000000001159 0.57845 47.1491
44 5V2J 7WV 0.00000000003415 0.70924 49.5614
45 5V2J UDP 0.00000000003415 0.70924 49.5614
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