Receptor
PDB id Resolution Class Description Source Keywords
2Q0G 2.3 Å EC: 2.7.7.52 TERMINAL URIDYLYL TRANSFERASE 4 FROM TRYPANOSOMA BRUCEI WITH TRYPANOSOMA BRUCEI TUTASE TRYPANOSOMA NUCLEOTIDYLTRANSFERASE UTP-BINDING RNEDITING TRANSFERASE
Ref.: DUAL ROLE OF THE RNA SUBSTRATE IN SELECTIVITY AND C BY TERMINAL URIDYLYL TRANSFERASES. PROC.NATL.ACAD.SCI.USA V. 104 14634 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:403;
B:404;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
MG A:401;
B:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
UPU A:501;
B:502;
Valid;
Valid;
none;
none;
submit data
550.367 C18 H23 N4 O14 P C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Q0D 2 Å EC: 2.7.7.52 TERMINAL URIDYLYL TRANSFERASE 4 FROM TRYPANOSOMA BRUCEI WITH TRYPANOSOMA BRUCEI TUTASE TRYPANOSOMA NUCLEOTIDYLTRANSFERASE UTP-BINDING RNEDITING TRANSFERASE
Ref.: DUAL ROLE OF THE RNA SUBSTRATE IN SELECTIVITY AND C BY TERMINAL URIDYLYL TRANSFERASES. PROC.NATL.ACAD.SCI.USA V. 104 14634 2007
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2Q0E - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 2NOM - DUT C9 H15 N2 O14 P3 C1[C@@H]([....
3 2Q0F - U5P C9 H13 N2 O9 P C1=CN(C(=O....
4 2Q0C - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
5 2Q0G - UPU C18 H23 N4 O14 P C1=CN(C(=O....
6 2IKF - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
7 2Q0D - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2Q0E - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 2NOM - DUT C9 H15 N2 O14 P3 C1[C@@H]([....
3 2Q0F - U5P C9 H13 N2 O9 P C1=CN(C(=O....
4 2Q0C - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
5 2Q0G - UPU C18 H23 N4 O14 P C1=CN(C(=O....
6 2IKF - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
7 2Q0D - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2Q0E - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 2NOM - DUT C9 H15 N2 O14 P3 C1[C@@H]([....
3 2Q0F - U5P C9 H13 N2 O9 P C1=CN(C(=O....
4 2Q0C - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
5 2Q0G - UPU C18 H23 N4 O14 P C1=CN(C(=O....
6 2IKF - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
7 2Q0D - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: UPU; Similar ligands found: 106
No: Ligand ECFP6 Tc MDL keys Tc
1 UPU 1 1
2 UDP 0.72973 0.940298
3 UTP 0.701299 0.940298
4 U5P 0.694444 0.954545
5 U 0.694444 0.954545
6 U5F 0.692308 0.940298
7 U3P 0.680556 0.939394
8 UA3 0.680556 0.939394
9 GDU 0.670588 0.970149
10 660 0.670588 0.955882
11 URM 0.670588 0.955882
12 UFM 0.670588 0.970149
13 UPG 0.670588 0.970149
14 UNP 0.654321 0.913043
15 UPF 0.647727 0.915493
16 U2F 0.647727 0.915493
17 44P 0.644737 0.9
18 UFG 0.629214 0.915493
19 PUP 0.629214 0.913043
20 CSQ 0.617021 0.902778
21 CSV 0.617021 0.902778
22 UDM 0.617021 0.942029
23 UDX 0.611111 0.941176
24 UAD 0.611111 0.941176
25 2KH 0.609756 0.913043
26 AWU 0.606742 0.941176
27 UPP 0.602273 0.941176
28 UDH 0.602273 0.864865
29 3UC 0.602151 0.915493
30 URI 0.6 0.863636
31 UDP UDP 0.6 0.939394
32 Y6W 0.588889 0.915493
33 UD2 0.587629 0.955882
34 UD1 0.587629 0.955882
35 UGA 0.580645 0.955224
36 UGB 0.580645 0.955224
37 USQ 0.580645 0.820513
38 UDP GAL 0.576087 0.941176
39 UGF 0.574468 0.901408
40 G3N 0.574468 0.914286
41 CJB 0.554054 0.848485
42 12V 0.533981 0.928571
43 HWU 0.533981 0.928571
44 EPZ 0.53271 0.942029
45 UD7 0.529412 0.927536
46 HP7 0.529412 0.941176
47 EPU 0.527778 0.928571
48 APU 0.527778 0.853333
49 EEB 0.527778 0.928571
50 MJZ 0.524272 0.914286
51 F5P 0.519231 0.914286
52 UD4 0.519231 0.914286
53 F5G 0.519231 0.927536
54 UDZ 0.514019 0.853333
55 U2P 0.5125 0.925373
56 IUG 0.509434 0.810127
57 UP5 0.5 0.853333
58 UMA 0.491379 0.942029
59 4TC 0.490909 0.831169
60 U2G 0.482143 0.822785
61 U4S 0.481928 0.753425
62 UTP U U U 0.479167 0.924242
63 UPA 0.477477 0.866667
64 DKX 0.475 0.771429
65 U2S 0.470588 0.791667
66 U3S 0.470588 0.777778
67 UMF 0.46988 0.857143
68 FZK 0.468085 0.777778
69 U20 0.467213 0.833333
70 U22 0.467213 0.8125
71 U21 0.467213 0.833333
72 UCG 0.455285 0.797468
73 C5G 0.445545 0.915493
74 CDP 0.444444 0.887324
75 2TU 0.443038 0.774648
76 U1S 0.442105 0.773333
77 2QR 0.436508 0.822785
78 LSU 0.434343 0.738095
79 GPC 0.433333 0.792683
80 UAG 0.431818 0.890411
81 5FU 0.430233 0.887324
82 CTP 0.430108 0.887324
83 HF4 0.430108 0.887324
84 BUP 0.425532 0.875
85 6MZ C U 0.424242 0.810127
86 YSU 0.419048 0.768293
87 5GW 0.418367 0.914286
88 DUD 0.417582 0.859155
89 DUT 0.414894 0.859155
90 4RA 0.413534 0.831169
91 2GW 0.412844 0.928571
92 UUA 0.4125 0.746269
93 7XL 0.412371 0.888889
94 0RC 0.412371 0.864865
95 C5P 0.409091 0.9
96 UMP 0.409091 0.871429
97 C 0.409091 0.9
98 CAR 0.409091 0.9
99 DU 0.409091 0.871429
100 G 6MZ C U 0.407407 0.797468
101 UD0 0.407407 0.820513
102 2TM 0.40625 0.851351
103 5BU 0.404494 0.887324
104 N3E 0.402174 0.780822
105 UC5 0.402174 0.847222
106 C2G 0.4 0.901408
Similar Ligands (3D)
Ligand no: 1; Ligand: UPU; Similar ligands found: 2
No: Ligand Similarity coefficient
1 A U 0.9350
2 G C 0.8647
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Q0D; Ligand: ATP; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 2q0d.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5I49 2KH 31.4448
2 4NKT 2KH 38.8102
3 4NKT 2KH 38.8102
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