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Receptor
PDB id Resolution Class Description Source Keywords
2EUG 1.5 Å EC: 3.2.2.3 CRYSTAL STRUCTURE OF ESCHERICHIA COLI URACIL DNA GLYCOSYLASE COMPLEXES WITH URACIL AND GLYCEROL: STRUCTURE AND GLYCOSYLAM ECHANISM REVISITED ESCHERICHIA COLI GLYCOSYLASE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF ESCHERICHIA COLI URACIL DNA GL AND ITS COMPLEXES WITH URACIL AND GLYCEROL: STRUCTU GLYCOSYLASE MECHANISM REVISITED. PROTEINS V. 35 13 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
URA A:230;
Valid;
none;
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112.087 C4 H4 N2 O2 C1=CN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2EUG 1.5 Å EC: 3.2.2.3 CRYSTAL STRUCTURE OF ESCHERICHIA COLI URACIL DNA GLYCOSYLASE COMPLEXES WITH URACIL AND GLYCEROL: STRUCTURE AND GLYCOSYLAM ECHANISM REVISITED ESCHERICHIA COLI GLYCOSYLASE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF ESCHERICHIA COLI URACIL DNA GL AND ITS COMPLEXES WITH URACIL AND GLYCEROL: STRUCTU GLYCOSYLASE MECHANISM REVISITED. PROTEINS V. 35 13 1999
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2EUG - URA C4 H4 N2 O2 C1=CNC(=O)....
2 1FLZ - URA C4 H4 N2 O2 C1=CNC(=O)....
3 5EUG - URA C4 H4 N2 O2 C1=CNC(=O)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2EUG - URA C4 H4 N2 O2 C1=CNC(=O)....
2 1FLZ - URA C4 H4 N2 O2 C1=CNC(=O)....
3 5EUG - URA C4 H4 N2 O2 C1=CNC(=O)....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2EUG - URA C4 H4 N2 O2 C1=CNC(=O)....
2 1FLZ - URA C4 H4 N2 O2 C1=CNC(=O)....
3 5EUG - URA C4 H4 N2 O2 C1=CNC(=O)....
4 1UDH - URA C4 H4 N2 O2 C1=CNC(=O)....
5 1LAU - DT DT DT n/a n/a
6 2C53 - DUR C9 H12 N2 O5 C1[C@@H]([....
7 3FCL ic50 = 315 uM 3FL C17 H22 N4 O4 c1cc(cc(c1....
8 3FCF ic50 = 40 uM FCF C15 H14 N4 O6 c1cc(cc(c1....
9 3FCI ic50 = 1.3 uM 3FI C16 H18 N4 O5 c1cc(cc(c1....
10 2HXM - 302 C15 H14 N4 O6 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: URA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 URA 1 1
2 TUL 0.5 0.725
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2EUG; Ligand: URA; Similar sites found with APoc: 123
This union binding pocket(no: 1) in the query (biounit: 2eug.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 2VPE ALA ARG THR MLY GLN THR ALA None
2 5ZZ6 NAD None
3 3B1J NAD 1.31004
4 2F1K NAP 1.74672
5 2DFV NAD 1.74672
6 3B7G ANP 2.18341
7 4E5N NAD 2.18341
8 3GGO NAI 2.18341
9 1LLU NAD 2.18341
10 4UP4 GAL NAG 2.18341
11 5UR0 NAD 2.18341
12 5JCM ISD 2.21729
13 5JCM FAD 2.21729
14 5JCM NAD 2.21729
15 2YVF NAD 2.62009
16 2YVF FAD 2.62009
17 4ZVV NAD 2.62009
18 4ZVV GN0 2.62009
19 1EQ2 NAP 2.62009
20 5YS9 FAD 2.62009
21 3ICS ADP 2.62009
22 2X6T NAP 2.62009
23 3KJS NAP 3.05677
24 4B7P 9UN 3.05677
25 2HJR APR 3.05677
26 3EYA TDP 3.05677
27 1HYH NAD 3.05677
28 1V47 ADX 3.05677
29 4MZU COA 3.05677
30 4MAF ADX 3.05677
31 1FIW PBZ 3.05677
32 3U6K GDP 3.05677
33 5ZBC FAD 3.05677
34 4IEN COA 3.06748
35 2J4K U5P 3.09735
36 2DT5 NAD 3.31754
37 3TLJ SAH 3.49345
38 4Z0G 5GP 3.49345
39 4XDY NAI 3.49345
40 5YB7 FAD 3.49345
41 5YB7 ORN 3.49345
42 2NU8 COA 3.49345
43 4ZGS NAD 3.49345
44 4Z87 5GP 3.49345
45 6CEP NAD 3.49345
46 6CEP OXM 3.49345
47 3L4S 3PG 3.49345
48 5Y77 FAD 3.49345
49 2I4I AMP 3.49345
50 2FNU PMP UD1 3.49345
51 2B8T THM 3.58744
52 4AZ3 S35 3.87097
53 5J60 FAD 3.93013
54 5KBZ 3B2 3.93013
55 1HDG NAD 3.93013
56 5VN0 NAI 3.93013
57 1GAD NAD 3.93013
58 3WBD SIA SIA SIA SIA SIA SIA SIA 3.93013
59 6EJI UD2 3.93013
60 4L8V NAP 3.93013
61 3ORF NAD 3.93013
62 4P5E N6P 3.94737
63 4C81 CDP 4.34783
64 5H9I XAN 4.36681
65 5Z20 NAI 4.36681
66 1E5Q NDP 4.36681
67 5GUD NDP 4.36681
68 5YU3 PRO 4.36681
69 5YU3 NAD 4.36681
70 2BLE 5GP 4.36681
71 5GUD 2IT 4.36681
72 2CDU ADP 4.36681
73 1UI0 URA 4.39024
74 6HT0 GQ8 4.51613
75 5M45 AMP 4.80349
76 1O94 ADP 4.80349
77 4TSK NDP 4.80349
78 5NUF NAD 4.81928
79 5NUE NAD 4.81928
80 5XWC NAP 5.24017
81 5XWC 8GL 5.24017
82 5XWC 2IT 5.24017
83 1YQC GLV 5.29412
84 3VPH NAD 5.67686
85 3VPH OXM 5.67686
86 6B4K ANP 5.67686
87 3TAY MN0 6.13497
88 1YGC 905 6.34921
89 4TQK NAG 6.9869
90 1XF1 CIT 7.42358
91 4MDH NAD 7.42358
92 3BJK CIT 7.84314
93 3AB1 FAD 7.86026
94 2D2I NAP 7.86026
95 1GV0 NAD 8.29694
96 1O0S NAI 8.29694
97 1UP7 NAD 8.29694
98 1GUZ NAD 8.73362
99 1YY5 FAD 8.73362
100 3T7S SAM 8.73362
101 2RAB FAD 9.17031
102 1K3T BRZ 9.60699
103 1H2B NAJ 10.0437
104 4MZQ 1VU 11.1111
105 1X7D ORN 11.3537
106 1RPN NDP 11.6418
107 5AYV KPL 11.7904
108 5AYV NAP 11.7904
109 2HQM FAD 12.2271
110 1EZ4 NAD 12.2271
111 1ZD9 GDP 12.2271
112 1PFY MSP 12.6638
113 6AA8 NAD 12.6638
114 4R4U COA 13.9738
115 1O6Z NAD 14.4105
116 1LDN NAD 14.4105
117 1UXG NAD 15.2838
118 1UXG FUM 15.2838
119 1LTH NAD 19.214
120 6GAR FAD 20.0873
121 3GD4 NAD 26.6376
122 4LZB URA 28.3843
123 4YGM URA 28.3843
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