Receptor
PDB id Resolution Class Description Source Keywords
2VCH 1.45 Å EC: 2.4.1.218 CHARACTERIZATION AND ENGINEERING OF THE BIFUNCTIONAL N- AND O-GLUCOSYLTRANSFERASE INVOLVED IN XENOBIOTIC METABOLISM IN P LANTS ARABIDOPSIS THALIANA GLYCOSYLTRANSFERASE N-GLUCOSYLTRANSFERASE UDP-GLUCOSE- DEPENDENT PLANT GLYCOSYLTRANSFERASE TRANSFERASE N-GLYCOSYLATION O-GLYCOSYLATION S-GLUCOSYLTRANSFERASE O- GLUCOSYLTRANSFERASE
Ref.: CHARACTERIZATION AND ENGINEERING OF THE BIFUNCTIONAL N- AND O-GLUCOSYLTRANSFERASE INVOLVED IN XENOBIOTIC METABOLISM IN PLANTS. PROC.NAT.ACAD.SCI.USA V. 104 20238 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1478;
A:1479;
A:1480;
A:1481;
A:1482;
A:1483;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
UDP A:1477;
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
2VCH 1.45 Å EC: 2.4.1.218 CHARACTERIZATION AND ENGINEERING OF THE BIFUNCTIONAL N- AND O-GLUCOSYLTRANSFERASE INVOLVED IN XENOBIOTIC METABOLISM IN P LANTS ARABIDOPSIS THALIANA GLYCOSYLTRANSFERASE N-GLUCOSYLTRANSFERASE UDP-GLUCOSE- DEPENDENT PLANT GLYCOSYLTRANSFERASE TRANSFERASE N-GLYCOSYLATION O-GLYCOSYLATION S-GLUCOSYLTRANSFERASE O- GLUCOSYLTRANSFERASE
Ref.: CHARACTERIZATION AND ENGINEERING OF THE BIFUNCTIONAL N- AND O-GLUCOSYLTRANSFERASE INVOLVED IN XENOBIOTIC METABOLISM IN PLANTS. PROC.NAT.ACAD.SCI.USA V. 104 20238 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2VCH - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 2VCE - TC7 C6 H3 Cl3 O c1c(c(cc(c....
3 2VG8 - UDP C9 H14 N2 O12 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 2VCH - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 2VCE - TC7 C6 H3 Cl3 O c1c(c(cc(c....
3 2VG8 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
50% 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 2VCH - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 2VCE - TC7 C6 H3 Cl3 O c1c(c(cc(c....
3 2VG8 - 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 : 2VCH; Ligand: UDP; Similar sites found: 74
This union binding pocket(no: 1) in the query (biounit: 2vch.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FJJ MAN 0.02046 0.40118 0.833333
2 3CV2 OXL 0.02887 0.41281 1.04167
3 4IPM TCB 0.01518 0.42396 1.85615
4 4HAQ CBI 0.02261 0.41058 1.85615
5 1RRV TYD 0.0003061 0.47875 1.92308
6 3L6C MLI 0.03223 0.40648 2.0649
7 1VBH PEP 0.04541 0.40072 2.08333
8 2RFY CBI 0.03052 0.40005 2.09302
9 4X1T UDP 0.00004777 0.42604 2.20588
10 4RM0 FUC NDG GAL 0.0269 0.41313 2.21519
11 1JJ7 ADP 0.01741 0.41813 2.30769
12 3ITJ CIT 0.001215 0.48295 2.36686
13 3S2U UD1 0.000002009 0.55909 2.46575
14 3H4T UDP 0.000004043 0.4857 2.47525
15 4X7R UDP 0.0002113 0.48123 2.5
16 4PQG UDP 0.0005698 0.45766 2.5
17 4X7R 3YW 0.001281 0.42483 2.5
18 3NHB ADP 0.03397 0.40655 2.61438
19 3BEO UDP 0.002499 0.44111 2.66667
20 2NUN ADP 0.008786 0.43178 2.78638
21 2IW1 U2F 0.002641 0.4094 2.94118
22 1YQT ADP 0.02007 0.41924 3.33333
23 4XSU UDP 0.0007593 0.42107 3.35052
24 4XSU GLC 0.0008291 0.41959 3.35052
25 1T9D P22 0.03209 0.40666 3.75
26 1LK7 DER 0.01796 0.40792 3.93013
27 1XV5 UDP 0.01486 0.40481 3.99003
28 3OTI TYD 0.0000006128 0.58127 4.0201
29 1D3V ABH 0.02008 0.402 4.02477
30 1DNP MHF 0.01927 0.43603 4.03397
31 1QVJ RP5 0.03201 0.40678 4.10959
32 1DMH MCT 0.03208 0.40268 4.18006
33 3WMX THR 0.00752 0.44214 4.18994
34 1NLM UD1 0.00001132 0.54422 4.3956
35 5ENZ UDP 0.004891 0.42368 4.41558
36 3IAA TYD 0.000001124 0.57634 4.56731
37 3RSC TYD 0.000000867 0.57479 4.57831
38 1D8C GLV 0.02445 0.42894 4.58333
39 1XPJ TLA 0.03217 0.40473 4.7619
40 2OUA AES 0.03768 0.40255 4.78723
41 1F6D UDP 0.0245 0.4049 4.79167
42 4RIF 3R2 0.00002784 0.47863 5.01319
43 1R6N 434 0.04006 0.40233 5.21327
44 2WTX UDP 0.004414 0.40579 5.27426
45 2WTX VDO 0.005425 0.40449 5.27426
46 2CUN 3PG 0.0263 0.40484 5.36585
47 4PPF FLC 0.03441 0.41408 5.42857
48 2D2F ADP 0.02182 0.4202 5.6
49 3Q3H UDP 0.03534 0.40441 5.625
50 2QV7 ADP 0.01066 0.4116 5.93472
51 1Q8S MAN MMA 0.03062 0.40628 5.95238
52 1Q8Q MAN MMA 0.0329 0.40484 5.95238
53 1KSK URA 0.02213 0.41947 5.98291
54 2IYF UDP 0.00000008649 0.64949 6.0241
55 2AWN ADP 0.008488 0.44416 6.29921
56 5D3X 4IP 0.04776 0.40252 6.58683
57 4DOE CT3 0.02228 0.40329 6.73684
58 3OTH TYD 0.0000001024 0.64606 7.03884
59 3OTH CLJ 0.000001374 0.45599 7.03884
60 4WZ6 ATP 0.02563 0.41356 7.93103
61 1FWV SGA MAG FUC 0.00855 0.44252 8.20895
62 1M2X MCO 0.02338 0.41579 8.52018
63 1GXU 2HP 0.01648 0.44649 8.79121
64 2IYA UDP 0.0000000002555 0.75663 11.7925
65 2VOH CIT 0.0159 0.43701 12.7389
66 5E5U MLI 0.003381 0.48641 13.6364
67 4URN NOV 0.03503 0.40462 14.2222
68 5TME UDP 0.0000001632 0.66415 31.2634
69 4REL KMP 0.0000006209 0.51579 46.6368
70 3HBF UDP 0.0000000007843 0.71481 47.1366
71 3HBF MYC 0.00000001598 0.55497 47.1366
72 2C1X UDP 0.000000001159 0.57845 47.1491
73 5V2J 7WV 0.0000000001754 0.69146 49.6659
74 5V2J UDP 0.0000000001754 0.69146 49.6659
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