Receptor
PDB id Resolution Class Description Source Keywords
2C0U 2.2 Å EC: 1.7.3.1 CRYSTAL STRUCTURE OF A COVALENT COMPLEX OF NITROALKANE OXIDASE TRAPPED DURING SUBSTRATE TURNOVER FUSARIUM OXYSPORUM OXIDOREDUCTASE N5-FAD ADDUCT FLAVOENZYME NITROALKANE ACYL-COA DEHYDROGENASE NITROBUTYL FAD FLAVOPROTEIN
Ref.: CRYSTAL STRUCTURES OF NITROALKANE OXIDASE: INSIGHTS INTO THE REACTION MECHANISM FROM A COVALENT COMPLEX OF THE FLAVOENZYME TRAPPED DURING TURNOVER. BIOCHEMISTRY V. 45 1138 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD NBT A:1432;
B:1432;
C:1432;
D:1432;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
888.678 n/a P(=O)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2C0U 2.2 Å EC: 1.7.3.1 CRYSTAL STRUCTURE OF A COVALENT COMPLEX OF NITROALKANE OXIDASE TRAPPED DURING SUBSTRATE TURNOVER FUSARIUM OXYSPORUM OXIDOREDUCTASE N5-FAD ADDUCT FLAVOENZYME NITROALKANE ACYL-COA DEHYDROGENASE NITROBUTYL FAD FLAVOPROTEIN
Ref.: CRYSTAL STRUCTURES OF NITROALKANE OXIDASE: INSIGHTS INTO THE REACTION MECHANISM FROM A COVALENT COMPLEX OF THE FLAVOENZYME TRAPPED DURING TURNOVER. BIOCHEMISTRY V. 45 1138 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2C0U - FAD NBT n/a n/a
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 2C0U - FAD NBT n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2C0U - FAD NBT n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD NBT; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD NBT 1 1
2 FAD CNX 0.786667 0.85
3 FAD NBA 0.746835 0.831683
4 FNK 0.639241 0.873684
5 F2N 0.591716 0.882979
6 FDA 0.584906 0.902174
7 P6G FDA 0.582353 0.806122
8 6YU 0.531915 0.84
9 CNV FAD 0.520231 0.851064
10 SFD 0.517857 0.752381
11 P33 FDA 0.511236 0.8
12 FAS 0.508876 0.83871
13 FAD 0.508876 0.83871
14 6FA 0.488235 0.829787
15 RFL 0.482955 0.8125
16 62F 0.48 0.808511
17 FA9 0.47541 0.829787
18 ADP PO3 0.474453 0.747253
19 ATP MG 0.474453 0.747253
20 FAY 0.468927 0.827957
21 ADP MG 0.455882 0.747253
22 ADP ALF 0.450704 0.701031
23 ALF ADP 0.450704 0.701031
24 VO4 ADP 0.447552 0.723404
25 ADP VO4 0.447552 0.723404
26 AF3 ADP 3PG 0.44586 0.714286
27 4TA 0.444444 0.819149
28 ATP A 0.443709 0.758242
29 ATP A A A 0.443709 0.758242
30 P5F 0.443243 0.87234
31 ADP BMA 0.439189 0.752688
32 NAJ PZO 0.427711 0.795699
33 AHZ 0.426752 0.717172
34 DAL AMP 0.421769 0.76087
35 Z5A 0.421053 0.831579
36 A A 0.417219 0.75
37 AP0 0.416149 0.776596
38 AR6 AR6 0.414013 0.75
39 8LQ 0.412162 0.744681
40 M33 0.411348 0.741935
41 AMP DBH 0.410256 0.752688
42 ADP 0.407143 0.75
43 GAP 0.406897 0.752688
44 A2D 0.405797 0.75
45 FB0 0.404494 0.745098
46 AN2 0.404255 0.76087
47 APC MG 0.402778 0.731183
48 AMP NAD 0.401198 0.76087
49 NAJ PYZ 0.401163 0.762887
50 8QN 0.4 0.741935
51 BA3 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2C0U; Ligand: FAD NBT; 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: 2c0u.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2C0U; Ligand: FAD NBT; 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: 2c0u.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2C0U; Ligand: FAD NBT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2c0u.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2C0U; Ligand: FAD NBT; 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: 2c0u.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
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