Receptor
PDB id Resolution Class Description Source Keywords
4JLZ 2.27 Å NON-ENZYME: OTHER STRUCTURE OF PORCINE CGAS IN COMPLEX WITH BOUND UTP SUS SCROFA DNA BINDING PROTEIN
Ref.: STRUCTURAL MECHANISM OF CYTOSOLIC DNA SENSING BY CG NATURE V. 498 332 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG B:502;
A:502;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
UTP B:503;
A:503;
Valid;
Valid;
none;
none;
submit data
484.141 C9 H15 N2 O15 P3 C1=CN...
ZN A:501;
B:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JLZ 2.27 Å NON-ENZYME: OTHER STRUCTURE OF PORCINE CGAS IN COMPLEX WITH BOUND UTP SUS SCROFA DNA BINDING PROTEIN
Ref.: STRUCTURAL MECHANISM OF CYTOSOLIC DNA SENSING BY CG NATURE V. 498 332 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4JLZ - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 4O67 - 1SY C20 H24 N10 O13 P2 c1nc(c2c(n....
2 4JLZ - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 4O67 - 1SY C20 H24 N10 O13 P2 c1nc(c2c(n....
2 4JLZ - 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 : 4JLZ; Ligand: UTP; 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: 4jlz.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4JLZ; Ligand: UTP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4jlz.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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