Receptor
PDB id Resolution Class Description Source Keywords
5TME 1.78 Å EC: 2.4.1.- CRYSTAL STRUCTURE OF OS79 FROM O. SATIVA IN COMPLEX WITH UDP ORYZA SATIVA SUBSP. JAPONICA MYCOTOXIN UDP-GLUCOSYLTRANSFERASE TRICHOTHECENE DETOXIFICTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF OS79 (OS04G0206600) FROM ORYZA A UDP-GLUCOSYLTRANSFERASE INVOLVED IN THE DETOXIFIC DEOXYNIVALENOL. BIOCHEMISTRY V. 55 6175 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UDP A:501;
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
5TME 1.78 Å EC: 2.4.1.- CRYSTAL STRUCTURE OF OS79 FROM O. SATIVA IN COMPLEX WITH UDP ORYZA SATIVA SUBSP. JAPONICA MYCOTOXIN UDP-GLUCOSYLTRANSFERASE TRICHOTHECENE DETOXIFICTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF OS79 (OS04G0206600) FROM ORYZA A UDP-GLUCOSYLTRANSFERASE INVOLVED IN THE DETOXIFIC DEOXYNIVALENOL. BIOCHEMISTRY V. 55 6175 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 5TME - 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 5TME - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 5TME - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 5V2K - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 5V2J - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 5U6N - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
5 5U6S - 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 : 5TME; Ligand: UDP; Similar sites found: 94
This union binding pocket(no: 1) in the query (biounit: 5tme.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1TKB N1T 0.0373 0.40236 1.2848
2 1DNP FAD 0.006476 0.434 1.49893
3 3EYA TDP 0.02549 0.40139 1.49893
4 2J4D FAD 0.01475 0.41603 1.71306
5 2JLB UDM 0.01574 0.41189 1.71306
6 3JZ4 NAP 0.02871 0.40012 1.71306
7 1Y1P NMN AMP PO4 0.00539 0.43195 1.75439
8 2Q7V FAD 0.04775 0.40319 1.84615
9 1I8T FAD 0.03641 0.40771 1.90736
10 5ESO ISC 0.01837 0.41831 1.92719
11 5ESO TDP 0.01837 0.41831 1.92719
12 1QO8 FAD 0.03235 0.41304 1.92719
13 1D4D FAD 0.04522 0.40609 1.92719
14 3Q3H UDP 0.005523 0.42297 2.14133
15 4EIL NDP 0.0108 0.42285 2.56959
16 2WTX VDO 0.03675 0.40469 2.78373
17 2WTX UDP 0.03519 0.40469 2.78373
18 4M7V RAR 0.01446 0.43242 2.85714
19 4M7V NAP 0.008329 0.43242 2.85714
20 2FZH DH1 0.02311 0.41991 2.91262
21 1JJ7 ADP 0.01226 0.41443 3.07692
22 3NRR NAP 0.01395 0.43236 3.21199
23 3NRR D16 0.01814 0.4297 3.21199
24 1VPE ANP 0.007108 0.42603 3.51759
25 4XSU UDP 0.02036 0.40629 3.60825
26 4XSU GLC 0.02036 0.40629 3.60825
27 3KJS NAP 0.01168 0.42245 3.64026
28 3KJS DQ1 0.01989 0.42245 3.64026
29 3S2U UD1 0.00003479 0.53527 3.83562
30 1GET FAD 0.04196 0.42117 4.06852
31 1GET NAP 0.04389 0.42117 4.06852
32 4RGQ 13P 0.04031 0.40354 4.07609
33 4RGQ 1GP 0.03687 0.40263 4.07609
34 4RGQ NDP 0.0307 0.40115 4.07609
35 3KDU NKS 0.02735 0.42018 4.33213
36 4X1T UDP 0.00002215 0.5344 4.41176
37 3ITJ FAD 0.02159 0.42797 4.43787
38 4ITM ATP 0.01766 0.40796 4.44444
39 2WN6 NDP 0.009129 0.40771 4.53564
40 1KQN NAD 0.03406 0.40229 4.6595
41 4N82 FMN 0.01373 0.40333 4.71092
42 1DR1 HBI 0.003539 0.45846 4.7619
43 1DR1 NAP 0.003539 0.45846 4.7619
44 3GDN FAD 0.04314 0.40638 4.92505
45 3H4T UDP 0.000008987 0.56389 5.19802
46 5M67 3D1 0.04836 0.40832 5.21921
47 5M67 ADE 0.04983 0.40761 5.21921
48 1RRV TYD 0.00006328 0.51537 5.28846
49 3OTH TYD 0.00000008612 0.64913 5.33981
50 3OTH CLJ 0.000001104 0.64558 5.33981
51 4RIF 3R2 0.000003171 0.5976 5.5409
52 2CUL FAD 0.01915 0.41843 5.60345
53 2DRC MTX 0.04358 0.44371 5.66038
54 3WMX THR 0.002951 0.42749 5.86592
55 1U70 NDP 0.006535 0.45059 5.91398
56 1U70 MTX 0.006535 0.45059 5.91398
57 1U72 MTX 0.009254 0.44846 5.91398
58 1U72 NDP 0.009254 0.44846 5.91398
59 2NUN ADP 0.002019 0.4265 6.19195
60 3HWW AKG 0.008793 0.41062 6.20985
61 4KM2 TOP 0.00278 0.46498 6.70391
62 4KM2 ATR 0.002647 0.46498 6.70391
63 2W9S NDP 0.01679 0.41319 6.8323
64 4LAE NAP 0.005806 0.45848 7.18563
65 4LAE 1VM 0.005806 0.45848 7.18563
66 3RG9 NDP 0.02111 0.41623 7.5
67 3RG9 WRA 0.02408 0.41623 7.5
68 5ECP ATP 0.04798 0.40135 7.62332
69 5ECP MET 0.04862 0.40016 7.62332
70 5ECP JAA 0.04862 0.40016 7.62332
71 4HA9 NDP 0.00765 0.42282 7.63052
72 4OR7 NAP 0.008844 0.4272 7.87879
73 3IAA TYD 0.0000003241 0.63127 7.93269
74 3RSC TYD 0.0000002534 0.63937 7.95181
75 2BL9 NDP 0.003498 0.45761 7.98319
76 2BL9 CP6 0.003498 0.45761 7.98319
77 3OTI TYD 0.0000003234 0.51943 8.29146
78 5DXV NAP 0.006961 0.42484 8.33333
79 2F2L MLD 0.02142 0.41034 8.38323
80 3TW1 AHN 0.01019 0.41302 8.43882
81 5LWV UDP 0.008639 0.42772 9.42184
82 5BNW 12V 0.01223 0.42628 9.42184
83 1NVM NAD 0.0242 0.4088 9.61539
84 2NUO BGC 0.01433 0.40889 10.6557
85 4CNK FAD 0.02168 0.41862 12.0205
86 3KC1 2T6 0.01101 0.40986 13.6499
87 2VCX GSH 0.04995 0.40896 16.0804
88 2VCX D26 0.04995 0.40896 16.0804
89 3CRZ NAP 0.04313 0.40105 16.3424
90 1D1G NDP 0.009297 0.42181 16.6667
91 1YOK P6L 0.03325 0.40598 21.4286
92 2VCH UDP 0.0000001632 0.66415 31.2634
93 2C1X UDP 0.0000000096 0.7437 37.9015
94 4REL KMP 0.0000001214 0.44263 44.843
95 4GYW UDP 0.01602 0.41913 50
Feedback