Receptor
PDB id Resolution Class Description Source Keywords
3CV3 2.25 Å EC: 2.4.1.17 CRYSTAL STRUCTURE OF GUMK MUTANT D157A IN COMPLEX WITH UDP XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS GLUCURONOSYLTRANSFERASE GLYCOSYLTRANSFERASE XANTHAN XANTHOMONAS CAMPESTRIS UDP UDPGLCA
Ref.: STRUCTURE AND MECHANISM OF GUMK, A MEMBRANE-ASSOCIATED GLUCURONOSYLTRANSFERASE. J.BIOL.CHEM. V. 283 25027 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UDP A:1081;
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
3CV3 2.25 Å EC: 2.4.1.17 CRYSTAL STRUCTURE OF GUMK MUTANT D157A IN COMPLEX WITH UDP XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS GLUCURONOSYLTRANSFERASE GLYCOSYLTRANSFERASE XANTHAN XANTHOMONAS CAMPESTRIS UDP UDPGLCA
Ref.: STRUCTURE AND MECHANISM OF GUMK, A MEMBRANE-ASSOCIATED GLUCURONOSYLTRANSFERASE. J.BIOL.CHEM. V. 283 25027 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CV3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 2Q6V - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CV3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 2Q6V - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CV3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 2Q6V - 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 : 3CV3; Ligand: UDP; Similar sites found: 66
This union binding pocket(no: 1) in the query (biounit: 3cv3.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BEO UDP 0.003113 0.41234 1.33333
2 1U3D FAD 0.0134 0.40359 1.47783
3 2GEK GDP 0.00001623 0.49524 1.72414
4 2Z3Y F2N 0.0261 0.40555 1.97044
5 1X87 NAD 0.01145 0.40095 1.97044
6 3ITJ FAD 0.0269 0.40811 2.07101
7 3AJ6 NGA 0.0128 0.41051 2.0979
8 1NP7 FAD 0.007198 0.41598 2.21675
9 1D4D FAD 0.03103 0.40188 2.21675
10 4C3Y ANB 0.02668 0.40751 2.46305
11 4C3Y FAD 0.02193 0.40751 2.46305
12 2XA2 UPG 0.003179 0.40464 2.46305
13 2IW1 U2F 0.00002776 0.52451 2.6738
14 2E5V FAD 0.02029 0.41087 2.70936
15 4F8L AES 0.01291 0.42427 2.75862
16 3RHZ UDP 0.0003033 0.46345 2.94985
17 1TUU AMP 0.01936 0.40013 3.00752
18 3KRR DQX 0.04302 0.40535 3.05085
19 2WTX UDP 0.001649 0.45352 3.20197
20 2WTX VDO 0.002244 0.44473 3.20197
21 1YBH FAD 0.02408 0.40374 3.20197
22 4ANP 3QI 0.0103 0.41144 3.39506
23 3VET ADP 0.03228 0.4064 3.44828
24 2IV3 UDP 0.000002341 0.5589 3.50877
25 4CNG SAH 0.01031 0.40745 3.52941
26 3WG6 NDP 0.01382 0.40426 3.58306
27 4GU5 FAD 0.006527 0.41794 3.69458
28 4X1T UDP 0.001139 0.43074 3.94089
29 5ENZ UDP 0.003988 0.41232 3.94089
30 3OII SAH 0.008769 0.40113 3.95257
31 1J39 UPG 0.00003206 0.52355 4.2735
32 5A07 GDP 0.0135 0.40367 4.4335
33 4JWH SAH 0.007099 0.41189 4.47284
34 4X7R UDP 0.00005893 0.48298 4.6798
35 2JLB UDM 0.0014 0.4454 4.6798
36 4X7R 3YW 0.000106 0.42986 4.6798
37 1N4W FAD 0.01962 0.41158 4.6798
38 4FWE FAD 0.02166 0.4095 4.6798
39 4GUS FAD 0.02531 0.40704 4.6798
40 4HSU FAD 0.02533 0.40702 4.6798
41 4GUT FAD 0.02739 0.40695 4.6798
42 1XV5 UDP 0.0002979 0.45498 4.73815
43 3Q3H UDP 0.0001288 0.5145 4.92611
44 3OKP GDD 0.000004814 0.55341 5.07614
45 5O4J PJL 0.01431 0.40836 5.10949
46 2E7Z MGD 0.01346 0.41181 5.17241
47 3OKA GDD 0.00001401 0.48897 5.24934
48 1RZU ADP 0.001167 0.45472 5.41872
49 4JWJ SAH 0.007337 0.40967 5.44554
50 4GYW UDP 0.004224 0.43194 5.66502
51 5BNW 12V 0.006961 0.42303 5.66502
52 4N39 UDP 0.005713 0.40921 5.66502
53 2WET FAD 0.0176 0.41301 5.91133
54 1I8T FAD 0.01373 0.41545 5.99455
55 3ZIU LSS 0.005231 0.41628 6.15764
56 4Y8D 49J 0.02085 0.40276 6.17647
57 3AIA SAM 0.004514 0.40481 7.109
58 4NES UDP 0.003009 0.41766 7.21925
59 3OTI TYD 0.006202 0.40959 7.53769
60 2Z48 NGA 0.006003 0.41902 8.12808
61 2Z48 A2G 0.02231 0.40127 8.12808
62 4XSU UDP 0.00006278 0.5065 10.3093
63 4XSU GLC 0.00006278 0.5065 10.3093
64 4M7V RAR 0.0302 0.40246 12
65 4PQG UDP 0.0001841 0.45502 13.0542
66 2Y69 CHD 0.01894 0.40066 17.1429
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