Receptor
PDB id Resolution Class Description Source Keywords
2ACV 2 Å EC: 2.4.1.- CRYSTAL STRUCTURE OF MEDICAGO TRUNCATULA UGT71G1 MEDICAGO TRUNCATULA GLYCOSYLTRANSFERASE UDP
Ref.: CRYSTAL STRUCTURES OF A MULTIFUNCTIONAL TRITERPENE/FLAVONOID GLYCOSYLTRANSFERASE FROM MEDICAGO TRUNCATULA. PLANT CELL V. 17 3141 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UDP A:900;
B:901;
Valid;
Valid;
none;
none;
submit data
404.161 C9 H14 N2 O12 P2 C1=CN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ACV 2 Å EC: 2.4.1.- CRYSTAL STRUCTURE OF MEDICAGO TRUNCATULA UGT71G1 MEDICAGO TRUNCATULA GLYCOSYLTRANSFERASE UDP
Ref.: CRYSTAL STRUCTURES OF A MULTIFUNCTIONAL TRITERPENE/FLAVONOID GLYCOSYLTRANSFERASE FROM MEDICAGO TRUNCATULA. PLANT CELL V. 17 3141 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 2ACV - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 2ACV - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 2ACV - UDP C9 H14 N2 O12 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 : 2ACV; Ligand: UDP; Similar sites found: 74
This union binding pocket(no: 1) in the query (biounit: 2acv.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ZPD DPX 0.003809 0.43805 1.2959
2 2WTX UDP 0.02489 0.40443 1.2959
3 2WTX VDO 0.03309 0.40031 1.2959
4 4DP3 NDP 0.01439 0.42579 1.72786
5 4DP3 MMV 0.01439 0.42579 1.72786
6 1E1M FAD 0.03516 0.41194 1.73913
7 1NHX PEP 0.02379 0.41215 1.94384
8 1NHX FTB 0.02475 0.41215 1.94384
9 2VBF TPP 0.007072 0.42513 2.15983
10 2JLB UDM 0.0177 0.40194 2.15983
11 3WMX THR 0.001228 0.48149 2.23464
12 3B5J 12D 0.01909 0.40075 2.46914
13 3G5S FAD 0.0246 0.40771 2.48307
14 2BL9 CP6 0.003446 0.44892 2.52101
15 2BL9 NDP 0.003446 0.44892 2.52101
16 4DHY GLC 0.02445 0.40033 2.59179
17 1G6H ADP 0.02348 0.40406 2.72374
18 4CNK FAD 0.03505 0.40095 3.06905
19 5FJJ MAN 0.007889 0.41631 3.23974
20 4WZ6 ATP 0.008385 0.42185 3.44828
21 1D8C GLV 0.02027 0.4168 3.45572
22 1P7T PYR 0.01872 0.4156 3.45572
23 4XSU UDP 0.008554 0.41698 3.86598
24 4XSU GLC 0.008554 0.41698 3.86598
25 3S2U UD1 0.00001978 0.47556 3.88769
26 2C42 PYR 0.02083 0.40372 4.31965
27 2C42 TPP 0.02083 0.40372 4.31965
28 2DRC MTX 0.03484 0.44278 4.40252
29 2NU8 COA 0.0285 0.40818 4.51389
30 2NUN ADP 0.004025 0.42944 4.64396
31 1E6E FAD 0.01751 0.41407 4.6875
32 3Q3H UDP 0.01182 0.41123 4.75162
33 3H4T UDP 0.00002769 0.52629 4.9505
34 4PIV NDP 0.02449 0.40146 4.9676
35 1JJ7 ADP 0.01964 0.40083 5
36 5N53 8NB 0.01648 0.4052 5.12821
37 4X1T UDP 0.00003553 0.51109 5.14706
38 3RG9 WRA 0.02381 0.40938 5.41667
39 3RG9 NDP 0.02075 0.40938 5.41667
40 4HA9 NDP 0.01344 0.40311 5.62249
41 1KQN NAD 0.02112 0.40576 5.73477
42 3NHB ADP 0.008066 0.42233 5.88235
43 3HBN UDP 0.001961 0.43434 6.02837
44 4RIF 3R2 0.00007879 0.51531 6.0686
45 1AOE GW3 0.01678 0.41793 6.25
46 1AOE NDP 0.01678 0.41793 6.25
47 5ESO ISC 0.00964 0.42471 6.2635
48 5ESO TDP 0.00964 0.42471 6.2635
49 1DR1 NAP 0.004933 0.44234 6.34921
50 1DR1 HBI 0.004933 0.44234 6.34921
51 2VOH CIT 0.01078 0.4275 6.36943
52 1U72 NDP 0.00733 0.4456 6.45161
53 2W9S NDP 0.01366 0.41006 6.8323
54 1U70 NDP 0.004699 0.44941 6.98925
55 3OTI TYD 0.000004419 0.49565 7.03518
56 4X7R UDP 0.001237 0.41921 7.34341
57 3KJS NAP 0.01629 0.40766 7.34341
58 3KJS DQ1 0.02804 0.40766 7.34341
59 2IW1 U2F 0.005571 0.42731 7.48663
60 2FZH DH1 0.01593 0.42092 7.76699
61 1D1G NDP 0.004356 0.42934 8.33333
62 1JUV NDP 0.008328 0.41898 8.80829
63 2VF7 ADP 0.006278 0.40171 8.85529
64 1NVM NAD 0.01865 0.40952 9.29487
65 3OTH TYD 0.000002847 0.54376 9.46602
66 4I4B NAD 0.04612 0.40835 10.514
67 3IAA TYD 0.000004524 0.56022 10.8173
68 3RSC TYD 0.000002599 0.57399 10.8434
69 1GXU 2HP 0.01757 0.43207 10.989
70 2AWN ADP 0.003405 0.45188 11.0236
71 4M7V RAR 0.01924 0.41854 12.5714
72 1RRV TYD 0.0003031 0.4485 13.4615
73 4REL KMP 0.000005333 0.42479 34.5291
74 2C1X UDP 0.00000001167 0.46919 39.9123
Pocket No.: 2; Query (leader) PDB : 2ACV; Ligand: UDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2acv.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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