Receptor
PDB id Resolution Class Description Source Keywords
3HIY 2.3 Å EC: 7.-.-.- MINOR EDITOSOME-ASSOCIATED TUTASE 1 WITH BOUND UTP AND MG 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
MG A:401;
B:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
UTP A:501;
B:502;
Valid;
Valid;
none;
none;
submit data
484.141 C9 H15 N2 O15 P3 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HIY 2.3 Å EC: 7.-.-.- MINOR EDITOSOME-ASSOCIATED TUTASE 1 WITH BOUND UTP AND MG 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 250 families.
1 3HIY - 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 217 families.
1 3HIY - 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 181 families.
1 3HIY - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UTP; Similar ligands found: 114
No: Ligand ECFP6 Tc MDL keys Tc
1 UTP 1 1
2 UDP 0.892308 1
3 UNP 0.767123 0.970149
4 U5P 0.746269 0.984615
5 GDU 0.7125 0.941176
6 UPG 0.7125 0.941176
7 UFM 0.7125 0.941176
8 GUD 0.7125 0.941176
9 UPU 0.701299 0.940298
10 UPP 0.7 0.941176
11 UDH 0.7 0.864865
12 2KH 0.693333 0.970149
13 URM 0.691358 0.927536
14 660 0.691358 0.927536
15 44P 0.690141 0.955882
16 UFG 0.686747 0.888889
17 U2F 0.686747 0.888889
18 UPF 0.686747 0.888889
19 UAD 0.666667 0.941176
20 UDX 0.666667 0.941176
21 UDP UDP 0.662162 0.939394
22 3UC 0.655172 0.888889
23 UGA 0.651163 0.955224
24 USQ 0.651163 0.820513
25 UGB 0.651163 0.955224
26 G3N 0.643678 0.914286
27 CTP 0.620253 0.942029
28 UD1 0.619565 0.927536
29 UD2 0.619565 0.927536
30 UDM 0.615385 0.914286
31 UP5 0.602041 0.853333
32 DUT 0.6 0.913043
33 U 0.597015 0.863636
34 URI 0.597015 0.863636
35 UD7 0.589474 0.927536
36 HP7 0.589474 0.941176
37 Y6W 0.586207 0.888889
38 MJZ 0.583333 0.914286
39 UD4 0.57732 0.914286
40 HWU 0.57732 0.901408
41 12V 0.57732 0.901408
42 UDP GAL 0.573034 0.913043
43 IUG 0.565657 0.810127
44 EPZ 0.558824 0.914286
45 UDZ 0.554455 0.853333
46 EPU 0.553398 0.901408
47 EEB 0.553398 0.901408
48 CJB 0.549296 0.820895
49 CDP 0.54321 0.942029
50 4TC 0.528846 0.831169
51 U U 0.527473 0.955224
52 UA3 0.526316 0.939394
53 U3P 0.526316 0.939394
54 CSQ 0.515464 0.851351
55 CSV 0.515464 0.851351
56 UMA 0.513514 0.914286
57 U4S 0.512821 0.753425
58 DUD 0.512195 0.913043
59 CH 0.506329 0.913043
60 5GW 0.505618 0.942029
61 U2S 0.5 0.767123
62 U3S 0.5 0.753425
63 H6Y 0.48913 0.851351
64 U2P 0.487179 0.954545
65 U22 0.487179 0.790123
66 U21 0.487179 0.810127
67 U20 0.487179 0.810127
68 4GW 0.484211 0.915493
69 8GT 0.483516 0.855263
70 U1S 0.483146 0.75
71 2QR 0.478992 0.822785
72 PUP 0.473684 0.913043
73 C5G 0.46875 0.888889
74 DKX 0.467532 0.746479
75 5FU 0.45679 0.914286
76 A U 0.454545 0.805195
77 4RA 0.452381 0.855263
78 C2G 0.451613 0.901408
79 7XL 0.450549 0.888889
80 UAG 0.448819 0.864865
81 MGT 0.447917 0.780488
82 UD0 0.445312 0.844156
83 UMF 0.444444 0.857143
84 2TU 0.434211 0.774648
85 C5P 0.433735 0.927536
86 UMP 0.433735 0.898551
87 CAR 0.433735 0.927536
88 DU 0.433735 0.898551
89 C 0.433735 0.927536
90 2GW 0.432692 0.901408
91 U U U U 0.431579 0.940298
92 G8D 0.430108 0.855263
93 TTP 0.428571 0.875
94 CDM 0.428571 0.842105
95 5BU 0.428571 0.914286
96 UTP U U U 0.427083 0.895522
97 8OD 0.425532 0.851351
98 UC5 0.425287 0.9
99 N3E 0.425287 0.733333
100 91P 0.424779 0.802469
101 UUA 0.421053 0.772727
102 CXY 0.42 0.888889
103 CDC 0.418367 0.777778
104 1GW 0.418182 0.864865
105 DUP 0.417582 0.887324
106 CNU 0.413793 0.927536
107 DCP 0.413043 0.849315
108 UML 0.410072 0.810127
109 UPA 0.40708 0.842105
110 16B 0.406977 0.888889
111 D3T 0.406593 0.875
112 BMP 0.404762 0.970149
113 S5P 0.404762 0.915493
114 U2G 0.4 0.822785
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HIY; Ligand: UTP; Similar sites found: 37
This union binding pocket(no: 1) in the query (biounit: 3hiy.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WET FAD 0.01283 0.42565 1.30208
2 1RYI FAD 0.006483 0.4405 1.57068
3 2RGH FAD 0.008564 0.43349 1.82292
4 2RGO FAD 0.02181 0.41033 1.82292
5 4TM3 FAD 0.0459 0.41364 2.08333
6 3ICS FAD 0.02568 0.40774 2.08333
7 3ICR FAD 0.02577 0.40671 2.08333
8 3QVP FAD 0.03398 0.40599 2.34375
9 3K8L CEY 0.02474 0.4041 2.34375
10 3WGT FAD 0.01849 0.42269 2.59366
11 3WGT QSC 0.0206 0.42107 2.59366
12 1REO FAD 0.008082 0.43377 2.60417
13 4XJ6 GH3 0.00006591 0.48607 2.86458
14 1TDF FAD 0.03384 0.40846 3.16456
15 4U03 GTP 0.00007959 0.41255 3.38542
16 3S5W FAD 0.01955 0.40624 3.64583
17 1D6S PLP MET 0.0115 0.40628 3.72671
18 3KLJ FAD 0.01139 0.42003 4.16667
19 2BRY FAD 0.02361 0.40449 4.22535
20 1KNY APC 0.0008433 0.44629 4.34783
21 3ER9 3AT 0.003567 0.42033 4.42708
22 4AFK FLC 0.006878 0.43556 4.94792
23 3GD4 FAD 0.01284 0.42177 5.20833
24 4USQ FAD 0.01286 0.41856 5.54017
25 3JZ0 APC 0.0004687 0.46311 5.57491
26 2V3A FAD 0.03201 0.40294 6.25
27 4EIP K2C 0.01989 0.42028 6.51042
28 4OAG ADP 0.001586 0.43394 6.56716
29 4FWE FAD 0.02199 0.41561 7.8125
30 3JYY PPV 0.001211 0.46862 8.7108
31 2Q0D ATP 0.000000001641 0.74588 11.3314
32 2B56 UTP 0.00000002892 0.53317 11.4583
33 2B56 U5P 0.00000002892 0.53317 11.4583
34 5A2Z GTP 0.0000007766 0.60977 17.7083
35 4NKT 2KH 0.000000001506 0.70501 19.6481
36 5I49 2KH 0.0000003693 0.57576 22.9167
37 5W0N 2KH 0.0000000002924 0.71551 36.7188
Pocket No.: 2; Query (leader) PDB : 3HIY; Ligand: UTP; Similar sites found: 10
This union binding pocket(no: 2) in the query (biounit: 3hiy.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4NTC FAD 0.02007 0.41253 1.49254
2 2GVC FAD 0.02296 0.4018 1.82292
3 4JLZ UTP 0.008816 0.41199 2.45902
4 4J36 FAD 0.02363 0.40121 3.125
5 4JBL MET 0.01394 0.4097 3.24484
6 1YKJ FAD 0.04637 0.40767 3.38542
7 1PS9 FAD 0.02181 0.41075 3.64583
8 3ZNN 4WL 0.0257 0.41782 5.76369
9 3ZNN FAD 0.0257 0.41782 5.76369
10 3AD8 NAD 0.02353 0.40237 34.3434
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