Receptor
PDB id Resolution Class Description Source Keywords
5W0N 2.5 Å EC: 2.7.7.52 STRUCTURE OF HUMAN TUT7 CATALYTIC MODULE (CM) IN COMPLEX WIT AND U2 RNA HOMO SAPIENS TERMINAL URIDYLTRANSFERASE TUTASE TRANSFERASE
Ref.: MULTI-DOMAIN UTILIZATION BY TUT4 AND TUT7 IN CONTRO LET-7 BIOGENESIS. NAT. STRUCT. MOL. BIOL. V. 24 658 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:1404;
A:1404;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
MG B:1401;
C:1401;
A:1401;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
SO4 A:1406;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
2KH A:1402;
C:1402;
B:1402;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
483.156 C9 H16 N3 O14 P3 C1=CN...
IOD C:1404;
A:1405;
B:1405;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
126.904 I [I-]
UPU A:1403;
C:1403;
B:1403;
Valid;
Valid;
Valid;
none;
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
5W0N 2.5 Å EC: 2.7.7.52 STRUCTURE OF HUMAN TUT7 CATALYTIC MODULE (CM) IN COMPLEX WIT AND U2 RNA HOMO SAPIENS TERMINAL URIDYLTRANSFERASE TUTASE TRANSFERASE
Ref.: MULTI-DOMAIN UTILIZATION BY TUT4 AND TUT7 IN CONTRO LET-7 BIOGENESIS. NAT. STRUCT. MOL. BIOL. V. 24 658 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5W0N - 2KH C9 H16 N3 O14 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 4 families.
1 5W0N - 2KH C9 H16 N3 O14 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 4 families.
1 5W0N - 2KH C9 H16 N3 O14 P3 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2KH; Similar ligands found: 96
No: Ligand ECFP6 Tc MDL keys Tc
1 2KH 1 1
2 U 0.735294 0.955224
3 U5P 0.735294 0.955224
4 UDP 0.722222 0.970149
5 UNP 0.710526 1
6 UTP 0.693333 0.970149
7 U5F 0.684211 0.970149
8 44P 0.680556 0.928571
9 UDP UDP 0.653333 0.911765
10 UPU 0.609756 0.913043
11 URM 0.604651 0.901408
12 660 0.604651 0.901408
13 UPG 0.586207 0.914286
14 GUD 0.586207 0.914286
15 GDU 0.586207 0.914286
16 UFM 0.586207 0.914286
17 DUP 0.585366 0.915493
18 UDH 0.574713 0.842105
19 UPP 0.574713 0.914286
20 U2F 0.566667 0.864865
21 UPF 0.566667 0.864865
22 UFG 0.566667 0.864865
23 URI 0.565217 0.838235
24 Y6W 0.561798 0.864865
25 UAD 0.549451 0.914286
26 UDX 0.549451 0.914286
27 3UC 0.542553 0.864865
28 UDM 0.541667 0.888889
29 UGB 0.537634 0.927536
30 USQ 0.537634 0.8
31 UGA 0.537634 0.927536
32 G3N 0.531915 0.888889
33 UD2 0.530612 0.901408
34 UD1 0.530612 0.901408
35 U U 0.521739 0.927536
36 CJB 0.520548 0.797101
37 UD7 0.504951 0.901408
38 HP7 0.504951 0.914286
39 MJZ 0.5 0.888889
40 U3P 0.5 0.911765
41 UA3 0.5 0.911765
42 F5G 0.495146 0.901408
43 HWU 0.495146 0.876712
44 F5P 0.495146 0.888889
45 12V 0.495146 0.876712
46 UD4 0.495146 0.888889
47 CSV 0.494949 0.828947
48 CSQ 0.494949 0.828947
49 U4S 0.4875 0.733333
50 LSU 0.483871 0.741176
51 EPZ 0.481481 0.888889
52 EEB 0.477064 0.876712
53 EPU 0.477064 0.876712
54 UP5 0.476636 0.831169
55 UDZ 0.476636 0.88
56 U2S 0.47561 0.746667
57 U3S 0.47561 0.733333
58 IUG 0.471698 0.835443
59 YSU 0.464646 0.75
60 U2P 0.4625 0.926471
61 U1S 0.461538 0.730769
62 DUN 0.45977 0.915493
63 4TC 0.454545 0.810127
64 UMA 0.444444 0.888889
65 DKX 0.443038 0.726027
66 5BU 0.440476 0.888889
67 PUP 0.438776 0.887324
68 A U 0.4375 0.78481
69 5FU 0.433735 0.888889
70 CDP 0.431818 0.915493
71 G U 0.429825 0.768293
72 C5P 0.428571 0.901408
73 CAR 0.428571 0.901408
74 C 0.428571 0.901408
75 U U U U 0.427083 0.913043
76 2TM 0.423913 0.878378
77 U20 0.422764 0.790123
78 U21 0.422764 0.790123
79 U22 0.422764 0.771084
80 UTP U U U 0.42268 0.869565
81 UMF 0.421687 0.833333
82 DUD 0.420455 0.887324
83 16B 0.418605 0.890411
84 HF4 0.417582 0.915493
85 CTP 0.417582 0.915493
86 DUT 0.417582 0.887324
87 2QR 0.416 0.802469
88 UUA 0.415584 0.75
89 DU 0.411765 0.873239
90 UMP 0.411765 0.873239
91 CNU 0.409091 0.901408
92 5GW 0.40625 0.915493
93 4RA 0.40458 0.833333
94 UC5 0.404494 0.875
95 N3E 0.404494 0.714286
96 S5P 0.4 0.890411
Ligand no: 2; Ligand: UPU; Similar ligands found: 111
No: Ligand ECFP6 Tc MDL keys Tc
1 UPU 1 1
2 UDP 0.72973 0.940298
3 UTP 0.701299 0.940298
4 U 0.694444 0.954545
5 U5P 0.694444 0.954545
6 U5F 0.692308 0.940298
7 U3P 0.680556 0.939394
8 UA3 0.680556 0.939394
9 UFM 0.670588 0.970149
10 URM 0.670588 0.955882
11 GUD 0.670588 0.970149
12 UPG 0.670588 0.970149
13 660 0.670588 0.955882
14 GDU 0.670588 0.970149
15 UNP 0.654321 0.913043
16 U2F 0.647727 0.915493
17 UPF 0.647727 0.915493
18 44P 0.644737 0.9
19 UFG 0.629214 0.915493
20 PUP 0.629214 0.913043
21 CSV 0.617021 0.902778
22 CSQ 0.617021 0.902778
23 UDM 0.617021 0.942029
24 UAD 0.611111 0.941176
25 UDX 0.611111 0.941176
26 2KH 0.609756 0.913043
27 UDH 0.602273 0.864865
28 UPP 0.602273 0.941176
29 3UC 0.602151 0.915493
30 UDP UDP 0.6 0.939394
31 U U 0.6 0.955224
32 URI 0.6 0.863636
33 Y6W 0.588889 0.915493
34 UD2 0.587629 0.955882
35 UD1 0.587629 0.955882
36 USQ 0.580645 0.820513
37 UGB 0.580645 0.955224
38 UGA 0.580645 0.955224
39 G3N 0.574468 0.914286
40 CJB 0.554054 0.848485
41 HWU 0.533981 0.928571
42 12V 0.533981 0.928571
43 EPZ 0.53271 0.942029
44 UD7 0.529412 0.927536
45 HP7 0.529412 0.941176
46 EEB 0.527778 0.928571
47 EPU 0.527778 0.928571
48 APU 0.527778 0.853333
49 MJZ 0.524272 0.914286
50 F5G 0.519231 0.927536
51 F5P 0.519231 0.914286
52 UD4 0.519231 0.914286
53 UDZ 0.514019 0.853333
54 U2P 0.5125 0.925373
55 IUG 0.509434 0.810127
56 U U U U 0.5 0.940298
57 UP5 0.5 0.853333
58 UMA 0.491379 0.942029
59 G U 0.491071 0.810127
60 4TC 0.490909 0.831169
61 A U 0.486486 0.853333
62 U2G 0.482143 0.822785
63 U4S 0.481928 0.753425
64 UTP U U U 0.479167 0.924242
65 UPA 0.477477 0.866667
66 DKX 0.475 0.771429
67 U2S 0.470588 0.791667
68 U3S 0.470588 0.777778
69 UMF 0.46988 0.857143
70 U20 0.467213 0.833333
71 U22 0.467213 0.8125
72 U21 0.467213 0.833333
73 UCG 0.455285 0.797468
74 U A A U 0.451613 0.842105
75 C5G 0.445545 0.915493
76 CDP 0.444444 0.887324
77 2TU 0.443038 0.774648
78 U1S 0.442105 0.773333
79 C C C C 0.44 0.914286
80 2QR 0.436508 0.822785
81 LSU 0.434343 0.738095
82 A U C C 0.434109 0.831169
83 GPC 0.433333 0.792683
84 UAG 0.431818 0.890411
85 5FU 0.430233 0.887324
86 HF4 0.430108 0.887324
87 CTP 0.430108 0.887324
88 YSU 0.419048 0.768293
89 5GW 0.418367 0.914286
90 U A 0.418033 0.842105
91 DUD 0.417582 0.859155
92 A G U U 0.416058 0.8
93 DUT 0.414894 0.859155
94 4RA 0.413534 0.831169
95 2GW 0.412844 0.928571
96 UUA 0.4125 0.746269
97 7XL 0.412371 0.888889
98 0RC 0.412371 0.864865
99 A G U 0.410448 0.8
100 DU 0.409091 0.871429
101 UMP 0.409091 0.871429
102 C5P 0.409091 0.9
103 CAR 0.409091 0.9
104 C 0.409091 0.9
105 UD0 0.407407 0.820513
106 2TM 0.40625 0.851351
107 5BU 0.404494 0.887324
108 G U34 0.403361 0.8
109 N3E 0.402174 0.780822
110 UC5 0.402174 0.847222
111 C2G 0.4 0.901408
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5W0N; Ligand: UPU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5w0n.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5W0N; Ligand: 2KH; Similar sites found with APoc: 4
This union binding pocket(no: 2) in the query (biounit: 5w0n.bio3) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3HIY UTP 36.7188
2 3HIY UTP 36.7188
3 4NKT 2KH 49.2669
4 4NKT 2KH 49.2669
Pocket No.: 3; Query (leader) PDB : 5W0N; Ligand: 2KH; Similar sites found with APoc: 6
This union binding pocket(no: 3) in the query (biounit: 5w0n.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3HIY UTP 36.7188
2 3HIY UTP 36.7188
3 5A2Z GTP 38.9578
4 5A2Z GTP 38.9578
5 4NKT 2KH 49.2669
6 4NKT 2KH 49.2669
Pocket No.: 4; Query (leader) PDB : 5W0N; Ligand: UPU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5w0n.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5W0N; Ligand: 2KH; Similar sites found with APoc: 7
This union binding pocket(no: 5) in the query (biounit: 5w0n.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3HIY UTP 36.7188
2 3HIY UTP 36.7188
3 3HJ1 UTP 37.4677
4 5A2Z GTP 38.9578
5 5A2Z GTP 38.9578
6 4NKT 2KH 49.2669
7 4NKT 2KH 49.2669
Pocket No.: 6; Query (leader) PDB : 5W0N; Ligand: UPU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5w0n.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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