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...
View in 3D viewer
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 1256 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 1068 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 922 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: 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 : 4JLZ; Ligand: UTP; Similar sites found: 19
This union binding pocket(no: 1) in the query (biounit: 4jlz.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3OIX FMN 0.03744 0.41119 1.15942
2 3C3N FMN 0.03194 0.42693 1.28205
3 4OKZ 3E9 0.01864 0.40673 1.64384
4 2C91 NAP 0.01353 0.42067 1.77515
5 1NE7 16G 0.01577 0.40602 2.42215
6 3HIY UTP 0.008816 0.41199 2.45902
7 2B4G FMN 0.04843 0.40623 2.52366
8 2Q0D ATP 0.001236 0.48302 2.54958
9 1K4M NAD 0.02955 0.42046 2.8169
10 2P1C GG3 0.03847 0.40441 2.82051
11 4DD8 BAT 0.01672 0.40636 2.88462
12 1WYV PLP AOA 0.03016 0.40674 3.00546
13 1DY4 SNP 0.0223 0.42195 3.55191
14 1YKJ FAD 0.03843 0.42348 4.37158
15 2PS1 PRP 0.01788 0.40292 4.86726
16 5I49 2KH 0.001281 0.45903 6.28415
17 1LRW PQQ 0.03034 0.40858 8.43373
18 4NKT 2KH 0.002822 0.44098 10.5572
19 1W6S PQQ 0.02041 0.42296 17.5676
Pocket No.: 2; Query (leader) PDB : 4JLZ; Ligand: UTP; Similar sites found: 3
This union binding pocket(no: 2) in the query (biounit: 4jlz.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2J1P GRG 0.01484 0.42261 1.36519
2 1Q2C COA 0.01246 0.42578 4.93827
3 1Q2D COA 0.01723 0.40991 4.93827
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