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: 77
This union binding pocket(no: 1) in the query (biounit: 2eug.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2F1K NAP 0.01501 0.41401 1.74672
2 2DFV NAD 0.02253 0.40124 1.74672
3 4ZBY URA 0.0002589 0.46366 2.06186
4 3B7G ANP 0.006466 0.43758 2.18341
5 4E5N NAD 0.01378 0.43154 2.18341
6 5JCM FAD 0.02353 0.43694 2.21729
7 5JCM ISD 0.02404 0.43694 2.21729
8 5JCM NAD 0.02404 0.43694 2.21729
9 2YVF FAD 0.03303 0.42192 2.62009
10 2YVF NAD 0.03376 0.42192 2.62009
11 3ICS ADP 0.01007 0.40426 2.62009
12 1EQ2 NAP 0.03105 0.40287 2.62009
13 2X6T NAP 0.03893 0.40022 2.62009
14 3KJS NAP 0.01451 0.43417 3.05677
15 4B7P 9UN 0.0247 0.41813 3.05677
16 2HJR APR 0.01065 0.41548 3.05677
17 1HYH NAD 0.01621 0.41197 3.05677
18 1V47 ADX 0.01585 0.40809 3.05677
19 4MAF ADX 0.02723 0.40298 3.05677
20 1FIW PBZ 0.006766 0.4024 3.05677
21 3U6K GDP 0.01752 0.40192 3.05677
22 4IEN COA 0.02255 0.41311 3.06748
23 2J4K U5P 0.004459 0.47027 3.09735
24 2DT5 NAD 0.01067 0.42703 3.31754
25 4XDY NAI 0.01341 0.4211 3.49345
26 2NU8 COA 0.01776 0.41546 3.49345
27 1I0Z NAI 0.01913 0.4118 3.49345
28 2I4I AMP 0.02518 0.406 3.49345
29 2FNU PMP UD1 0.04064 0.40464 3.49345
30 5KBZ 3B2 0.02232 0.43383 3.93013
31 1GAD NAD 0.02353 0.4063 3.93013
32 3WBD SIA SIA SIA SIA SIA SIA SIA 0.01861 0.40557 3.93013
33 4L8V NAP 0.02814 0.40043 3.93013
34 3ORF NAD 0.02977 0.40009 3.93013
35 4P5E N6P 0.02838 0.40105 3.94737
36 4C81 CDP 0.02028 0.40327 4.34783
37 5H9I XAN 0.00002841 0.52035 4.36681
38 1E5Q NDP 0.03372 0.41158 4.36681
39 2BLE 5GP 0.03172 0.40876 4.36681
40 5GUD 2IT 0.03014 0.40825 4.36681
41 2CDU ADP 0.01552 0.40056 4.36681
42 1UI0 URA 0.0002844 0.46363 4.39024
43 5M45 AMP 0.007605 0.42904 4.80349
44 1O94 ADP 0.01861 0.4144 4.80349
45 4TSK NDP 0.02851 0.4047 4.80349
46 1YQC GLV 0.002706 0.44787 5.29412
47 3VPH NAD 0.01395 0.4231 5.67686
48 3VPH OXM 0.02091 0.41444 5.67686
49 3TAY MN0 0.04308 0.40481 6.13497
50 1YGC 905 0.01754 0.40684 6.34921
51 4TQK NAG 0.007869 0.41349 6.9869
52 3BJK CIT 0.02494 0.42786 7.84314
53 2D2I NAP 0.02661 0.40003 7.86026
54 1UP7 NAD 0.007456 0.4205 8.29694
55 1GV0 NAD 0.01792 0.41115 8.29694
56 1O0S NAI 0.01883 0.41039 8.29694
57 1GUZ NAD 0.01919 0.40864 8.73362
58 3T7S SAM 0.02454 0.4042 8.73362
59 2RAB FAD 0.02246 0.42474 9.17031
60 1K3T BRZ 0.01427 0.42474 9.60699
61 1H2B NAJ 0.01207 0.42596 10.0437
62 4MZQ 1VU 0.005757 0.44289 11.1111
63 1X7D ORN 0.03381 0.40462 11.3537
64 5AYV KPL 0.00659 0.44624 11.7904
65 5AYV NAP 0.005029 0.43777 11.7904
66 2HQM FAD 0.0221 0.41992 12.2271
67 1EZ4 NAD 0.01501 0.41379 12.2271
68 1ZD9 GDP 0.035 0.4024 12.2271
69 1PFY MSP 0.03389 0.41486 12.6638
70 4R4U COA 0.04002 0.40147 13.9738
71 1O6Z NAD 0.008317 0.42983 14.4105
72 1LDN NAD 0.01661 0.41608 14.4105
73 1UXG NAD 0.02419 0.41421 15.2838
74 1LTH NAD 0.01964 0.40724 19.214
75 3GD4 NAD 0.01482 0.41871 26.6376
76 4LZB URA 0.00001104 0.52894 28.3843
77 4YGM URA 0.000007284 0.51891 28.3843
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