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Receptor
PDB id Resolution Class Description Source Keywords
3HJ1 1.95 Å EC: 7.-.-.- MINOR EDITOSOME-ASSOCIATED TUTASE 1 WITH BOUND UTP TRYPANOSOMA BRUCEI TUTASE NUCLEOTIDYLTRANSFERASE TRYPANOSOMA EDITOSOME RNA UTP-BINDING TRANSFERASE
Ref.: STRUCTURE OF THE MITOCHONDRIAL EDITOSOME-LIKE COMPL ASSOCIATED TUTASE 1 REVEALS DIVERGENT MECHANISMS OF SELECTION AND DOMAIN ORGANIZATION. J.MOL.BIOL. V. 399 464 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UTP A:501;
B:502;
Valid;
Valid;
none;
none;
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484.141 C9 H15 N2 O15 P3 C1=CN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HJ1 1.95 Å EC: 7.-.-.- MINOR EDITOSOME-ASSOCIATED TUTASE 1 WITH BOUND UTP TRYPANOSOMA BRUCEI TUTASE NUCLEOTIDYLTRANSFERASE TRYPANOSOMA EDITOSOME RNA UTP-BINDING TRANSFERASE
Ref.: STRUCTURE OF THE MITOCHONDRIAL EDITOSOME-LIKE COMPL ASSOCIATED TUTASE 1 REVEALS DIVERGENT MECHANISMS OF SELECTION AND DOMAIN ORGANIZATION. J.MOL.BIOL. V. 399 464 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 3HJ1 - UTP C9 H15 N2 O15 P3 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 250 families.
1 3HJ1 - UTP C9 H15 N2 O15 P3 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 204 families.
1 3HJ1 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UTP; Similar ligands found: 118
No: Ligand ECFP6 Tc MDL keys Tc
1 UTP 1 1
2 UDP 0.892308 1
3 UNP 0.767123 0.970149
4 U 0.746269 0.984615
5 U5P 0.746269 0.984615
6 GUD 0.7125 0.941176
7 GDU 0.7125 0.941176
8 UPG 0.7125 0.941176
9 UFM 0.7125 0.941176
10 UPU 0.701299 0.940298
11 UPP 0.7 0.941176
12 UDH 0.7 0.864865
13 2KH 0.693333 0.970149
14 URM 0.691358 0.927536
15 660 0.691358 0.927536
16 44P 0.690141 0.955882
17 UFG 0.686747 0.888889
18 U2F 0.686747 0.888889
19 UPF 0.686747 0.888889
20 UAD 0.666667 0.941176
21 UDX 0.666667 0.941176
22 UDP UDP 0.662162 0.939394
23 3UC 0.655172 0.888889
24 UGA 0.651163 0.955224
25 UGB 0.651163 0.955224
26 USQ 0.651163 0.820513
27 G3N 0.643678 0.914286
28 CTP 0.620253 0.942029
29 HF4 0.620253 0.942029
30 UD1 0.619565 0.927536
31 UD2 0.619565 0.927536
32 UDM 0.615385 0.914286
33 UP5 0.602041 0.853333
34 DUT 0.6 0.913043
35 URI 0.597015 0.863636
36 HP7 0.589474 0.941176
37 UD7 0.589474 0.927536
38 Y6W 0.586207 0.888889
39 MJZ 0.583333 0.914286
40 F5P 0.57732 0.914286
41 F5G 0.57732 0.927536
42 HWU 0.57732 0.901408
43 UD4 0.57732 0.914286
44 12V 0.57732 0.901408
45 IUG 0.565657 0.810127
46 EPZ 0.558824 0.914286
47 UDZ 0.554455 0.853333
48 EPU 0.553398 0.901408
49 EEB 0.553398 0.901408
50 CJB 0.549296 0.820895
51 CDP 0.54321 0.942029
52 4TC 0.528846 0.831169
53 U U 0.527473 0.955224
54 UA3 0.526316 0.939394
55 U3P 0.526316 0.939394
56 CSV 0.515464 0.851351
57 CSQ 0.515464 0.851351
58 UMA 0.513514 0.914286
59 U4S 0.512821 0.753425
60 DUD 0.512195 0.913043
61 5GW 0.505618 0.942029
62 U3S 0.5 0.753425
63 U2S 0.5 0.767123
64 H6Y 0.48913 0.851351
65 U20 0.487179 0.810127
66 U2P 0.487179 0.954545
67 U22 0.487179 0.790123
68 U21 0.487179 0.810127
69 4GW 0.484211 0.915493
70 8GT 0.483516 0.855263
71 U1S 0.483146 0.75
72 2QR 0.478992 0.822785
73 PUP 0.473684 0.913043
74 C5G 0.46875 0.888889
75 DKX 0.467532 0.746479
76 5FU 0.45679 0.914286
77 A U 0.454545 0.805195
78 4RA 0.452381 0.855263
79 C2G 0.451613 0.901408
80 7XL 0.450549 0.888889
81 UAG 0.448819 0.864865
82 MGT 0.447917 0.780488
83 G U 0.446429 0.7875
84 UD0 0.445312 0.844156
85 UMF 0.444444 0.857143
86 2TU 0.434211 0.774648
87 C 0.433735 0.927536
88 DU 0.433735 0.898551
89 C5P 0.433735 0.927536
90 UMP 0.433735 0.898551
91 CAR 0.433735 0.927536
92 2GW 0.432692 0.901408
93 U U U U 0.431579 0.940298
94 G8D 0.430108 0.855263
95 5BU 0.428571 0.914286
96 CDM 0.428571 0.842105
97 TTP 0.428571 0.875
98 UTP U U U 0.427083 0.895522
99 8OD 0.425532 0.851351
100 N3E 0.425287 0.733333
101 UC5 0.425287 0.9
102 91P 0.424779 0.802469
103 UUA 0.421053 0.772727
104 CXY 0.42 0.888889
105 PRT 0.419048 0.813333
106 CDC 0.418367 0.777778
107 1GW 0.418182 0.864865
108 DUP 0.417582 0.887324
109 CNU 0.413793 0.927536
110 DCP 0.413043 0.849315
111 UML 0.410072 0.810127
112 UPA 0.40708 0.842105
113 16B 0.406977 0.888889
114 D3T 0.406593 0.875
115 S5P 0.404762 0.915493
116 BMP 0.404762 0.970149
117 GTF 0.404255 0.849315
118 U2G 0.4 0.822785
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HJ1; Ligand: UTP; Similar sites found with APoc: 65
This union binding pocket(no: 1) in the query (biounit: 3hj1.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 2WET FAD 1.29199
2 4NTC FAD 1.49254
3 2NVK FAD 1.55039
4 2IXB A2G 1.55039
5 2IXB NAD 1.55039
6 2RGH FAD 1.80879
7 1PS9 FAD 1.80879
8 4B63 FAD 1.80879
9 4B63 ORN 1.80879
10 4B63 NAP 1.80879
11 4BC5 5FX 1.80879
12 5NM7 GLY 1.8797
13 1H82 FAD 2.06718
14 1H82 GZZ 2.06718
15 6F7L FAD 2.06718
16 1REO FAD 2.58398
17 6F5W KG1 2.71003
18 1XHC FAD 2.7248
19 4XJ6 GH3 2.84238
20 3AB1 FAD 3.05556
21 4YNU FAD 3.10078
22 4JBL MET 3.24484
23 4U03 TLL 3.35917
24 4U03 GTP 3.35917
25 2IVD FAD 3.35917
26 5X68 FAD 3.35917
27 2Q7V FAD 3.38462
28 5TWB FAD 3.48837
29 5X7Q GLC GLC GLC GLC 3.61757
30 3G5S FAD 3.87597
31 2BRY FAD 4.22535
32 6GAS FAD 4.22961
33 1KNY APC 4.34783
34 1KCC GTR 4.47761
35 3ER9 3AT 4.65116
36 2Z3Y F2N 4.65116
37 5G3U ITW 4.65116
38 5G3U FDA 4.65116
39 4JNA FAD 4.70588
40 5MBX SP5 4.90956
41 5MBX FAD 4.90956
42 4X7Y SAH 5.10949
43 1GPE FAD 5.16796
44 3JYY PPV 5.22648
45 3JZ0 APC 5.57491
46 2Y6Q I7T 5.68475
47 2Y6Q FAD 5.68475
48 2CDU FAD 5.94315
49 4OAG ADP 6.56716
50 5J60 FAD 7.1875
51 4GUT FAD 7.25806
52 5OCQ CIT 7.36842
53 5TTJ FAD 7.49354
54 3V1U NAD 7.75194
55 6F97 FAD 8.01034
56 4MFL MFK 8.78553
57 1E6E FAD 9.375
58 2NZU BG6 11.3636
59 2B56 UTP 12.4031
60 2B56 U5P 12.4031
61 2Q0D ATP 16.4306
62 5I49 2KH 22.9974
63 5A2Z GTP 24.5478
64 5W0N 2KH 37.4677
65 4NKT 2KH 38.1232
Pocket No.: 2; Query (leader) PDB : 3HJ1; Ligand: UTP; Similar sites found with APoc: 15
This union binding pocket(no: 2) in the query (biounit: 3hj1.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5OC1 FAD 2.06718
2 1LVL FAD 2.06718
3 1RSG FAD 2.58398
4 4WOE 3S5 2.58398
5 3QFA FAD 2.58621
6 1RYI FAD 2.87958
7 1RYI GOA 2.87958
8 2HQM FAD 3.10078
9 5X7Q GLC GLC GLC 3.61757
10 1D6S MET PLP 3.72671
11 4UP3 FAD 5.41401
12 4USQ FAD 5.81717
13 6ER9 FAD 6.20155
14 2GAG FOA 7.07071
15 3W9F I3P 7.69231
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