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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 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: UDP; Similar ligands found: 117
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 U 0.78125 0.984615
6 UPU 0.72973 0.940298
7 2KH 0.722222 0.970149
8 44P 0.720588 0.955882
9 UFM 0.717949 0.941176
10 GDU 0.717949 0.941176
11 URM 0.717949 0.927536
12 660 0.717949 0.927536
13 UPG 0.717949 0.941176
14 GUD 0.717949 0.941176
15 UDP UDP 0.714286 0.939394
16 UPP 0.705128 0.941176
17 UDH 0.705128 0.864865
18 U2F 0.691358 0.888889
19 UFG 0.691358 0.888889
20 UPF 0.691358 0.888889
21 UAD 0.670732 0.941176
22 UDX 0.670732 0.941176
23 3UC 0.658824 0.888889
24 USQ 0.654762 0.820513
25 UGB 0.654762 0.955224
26 UGA 0.654762 0.955224
27 G3N 0.647059 0.914286
28 UDM 0.636364 0.914286
29 URI 0.625 0.863636
30 UD1 0.622222 0.927536
31 UD2 0.622222 0.927536
32 Y6W 0.607143 0.888889
33 CDP 0.605263 0.942029
34 HP7 0.591398 0.941176
35 UD7 0.591398 0.927536
36 MJZ 0.585106 0.914286
37 IUG 0.583333 0.810127
38 F5G 0.578947 0.927536
39 12V 0.578947 0.901408
40 HWU 0.578947 0.901408
41 F5P 0.578947 0.914286
42 UD4 0.578947 0.914286
43 CJB 0.573529 0.820895
44 UDZ 0.571429 0.853333
45 DUD 0.571429 0.913043
46 UP5 0.571429 0.853333
47 U U 0.563218 0.955224
48 EPZ 0.56 0.914286
49 5GW 0.559524 0.942029
50 EPU 0.554455 0.901408
51 EEB 0.554455 0.901408
52 U3P 0.547945 0.939394
53 UA3 0.547945 0.939394
54 4TC 0.544554 0.831169
55 HF4 0.54321 0.942029
56 CTP 0.54321 0.942029
57 CSQ 0.531915 0.851351
58 CSV 0.531915 0.851351
59 DUT 0.52439 0.913043
60 4GW 0.516484 0.915493
61 UMA 0.513761 0.914286
62 U4S 0.513158 0.753425
63 U2P 0.506667 0.954545
64 U2S 0.5 0.767123
65 U3S 0.5 0.753425
66 PUP 0.48913 0.913043
67 U21 0.486957 0.810127
68 U20 0.486957 0.810127
69 U22 0.486957 0.790123
70 DKX 0.486486 0.746479
71 U1S 0.482759 0.75
72 A U 0.481132 0.805195
73 2QR 0.478632 0.822785
74 5FU 0.474359 0.914286
75 G U 0.472222 0.7875
76 8OD 0.47191 0.851351
77 C5G 0.468085 0.888889
78 7XL 0.465909 0.888889
79 U U U U 0.461538 0.940298
80 UMF 0.461538 0.857143
81 G8D 0.460674 0.855263
82 UTP U U U 0.456522 0.895522
83 2TU 0.452055 0.774648
84 4RA 0.451613 0.855263
85 C2G 0.450549 0.901408
86 DU 0.45 0.898551
87 UMP 0.45 0.898551
88 C 0.45 0.927536
89 CAR 0.45 0.927536
90 C5P 0.45 0.927536
91 UAG 0.448 0.864865
92 CDC 0.446809 0.777778
93 5BU 0.444444 0.914286
94 UD0 0.444444 0.844156
95 N3E 0.440476 0.733333
96 UC5 0.440476 0.9
97 UUA 0.438356 0.772727
98 DUP 0.431818 0.887324
99 2GW 0.431373 0.901408
100 M7G 0.430108 0.780488
101 CNU 0.428571 0.927536
102 CDM 0.427083 0.842105
103 H6Y 0.425532 0.851351
104 16B 0.421687 0.888889
105 S5P 0.419753 0.915493
106 8GT 0.419355 0.855263
107 CXY 0.418367 0.888889
108 UPA 0.418182 0.842105
109 U2G 0.410714 0.822785
110 U A A U 0.409836 0.842105
111 UML 0.408759 0.810127
112 UP6 0.407407 0.871429
113 M7M 0.40625 0.771084
114 1GW 0.40367 0.864865
115 BMP 0.402439 0.970149
116 APU 0.401786 0.828947
117 PMP UD1 0.401575 0.7875
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: 118
This union binding pocket(no: 1) in the query (biounit: 2c1x.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 4NTO 1PW 0.966184
2 4G86 BNT 1.05634
3 3WMX THR 1.67598
4 1A99 PUT 1.74419
5 6BSW UDP 1.77515
6 2PYU IMP 1.82648
7 4B1X LAB 1.8617
8 2VOH CIT 1.91083
9 4X8D AVI 2.01342
10 1NVT NAP 2.09059
11 3HKA FIX 2.10773
12 1SJD NPG 2.17391
13 3S2U UD1 2.19178
14 4OFJ HIS 2.19298
15 3ITJ CIT 2.36686
16 2D2F ADP 2.4
17 4X7R UDP 2.41228
18 4WZ6 ATP 2.41379
19 4X1T UDP 2.45098
20 2J5V PCA 2.45232
21 4HPH SUC 2.50447
22 5V8E CIT 2.589
23 1LK7 DER 2.62009
24 3CV2 OXL 2.63158
25 1YQT ADP 2.63158
26 5YV5 ADP 2.63158
27 1T9D P22 2.85088
28 5WKC TP9 2.85088
29 2X8S AHR AHR AHR 2.85088
30 5HWK BEZ 2.91667
31 5HSS 650 2.96496
32 4BA5 PXG 3.05011
33 2NZ2 ASP 3.1477
34 5GLN XYP XYP XYP 3.19767
35 5GQI CTP 3.23887
36 2WPB ZZI 3.28947
37 4FAI PBD 3.28947
38 3B5J 12D 3.29218
39 1RRV TYD 3.36538
40 5C9P FUC 3.41207
41 2DUA OXL 3.44828
42 6HKE LMR 3.45912
43 3NHB ADP 3.59477
44 5AJU RP5 3.64964
45 1JT2 FER 3.73134
46 2P39 SCR 3.87097
47 1NLM UD1 3.94737
48 4WBD CIT 3.94737
49 5DEQ ARA 3.94737
50 5URY PAM 4.10959
51 5ZZA LAB 4.13223
52 3Q3H UDP 4.16667
53 4KVL PLM 4.38596
54 5W8X UDP 4.45026
55 2BKX F6R 4.54545
56 4PPF FLC 4.57143
57 1U08 PLP 4.66321
58 4HE2 AMP 4.73373
59 6MVU K4V 4.82456
60 1VAY AZA 4.87805
61 4DDY DN6 4.94297
62 3B9Q MLI 4.96689
63 3OTI TYD 5.02513
64 1Q8S MAN MMA 5.15873
65 1Y7I SAL 5.22388
66 5NM7 GLY 5.26316
67 3UYK 0CX 5.42636
68 6H5E ANP 5.49199
69 1FS5 TLA 5.6391
70 1DDU DDU 5.66038
71 2Y7G AAE 5.67376
72 4ISK UMP 5.68182
73 5W3Y ACO 5.68182
74 1CY2 TMP 5.70175
75 3AI3 SOL 5.70342
76 5WSY 7UC 5.78035
77 2IYF UDP 5.78313
78 5YEE LAB 5.88235
79 5ZZB LAB 5.88235
80 1YLH PYR 5.92105
81 3OTH TYD 6.06796
82 3OTH CLJ 6.06796
83 3GDN MXN 6.14035
84 1SNN 5RP 6.1674
85 3V2Q PLM 6.66667
86 3D1R FBP 6.79825
87 1VJ7 GPX 6.87023
88 5ZI9 FLC 6.92308
89 6ACS CIT 6.97674
90 2P3V SRT 7.03125
91 3IAA TYD 7.21154
92 3RSC TYD 7.22892
93 3WUC GLC GAL 7.29927
94 2PZE ATP 7.42358
95 3AXM 6PG 7.75194
96 4IP7 FLC 7.89474
97 2RC8 DSN 8.16327
98 1NE7 AGP 8.65052
99 2NUN ADP 8.66873
100 5XQL C2E 8.93471
101 6FU4 HSM 8.98551
102 3HBN UDP 9.21986
103 2RCA GLY 10.274
104 2OYH GLY HIS ARG PRO 10.6061
105 1NSA BEN 11.1392
106 5V3D FCN 11.7241
107 2IYA UDP 12.2642
108 5W6Y TRP 13.9241
109 4RIF 3R2 14.0351
110 3H4T UDP 16.3366
111 3HAV SRY 18.0602
112 6BK3 UDP 37.9015
113 3KPE TM3 38.4615
114 2ACV UDP 39.9123
115 2VCH UDP 47.1491
116 5NLM IOS 48.6842
117 5V2J 7WV 49.5614
118 5V2J UDP 49.5614
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