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)...
View in 3D viewer
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 (2D)
Ligand no: 1; Ligand: FAD NBT; Similar ligands found: 63
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 CNV FAD 0.741722 0.923913
5 DAL FAD PER 0.730769 0.935484
6 FAD T2C 0.710692 0.857143
7 FNK 0.639241 0.873684
8 DJC FAD 0.620879 0.865979
9 F2N 0.591716 0.882979
10 FDA 0.584906 0.902174
11 P6G FDA 0.582353 0.806122
12 6YU 0.531915 0.84
13 SFD 0.517857 0.752381
14 P33 FDA 0.511236 0.8
15 FAD 0.508876 0.83871
16 FAS 0.508876 0.83871
17 DJ0 FAD 0.507772 0.806122
18 6FA 0.488235 0.829787
19 RFL 0.482955 0.8125
20 62F 0.48 0.808511
21 FA9 0.47541 0.829787
22 ATP MG 0.474453 0.747253
23 ADP PO3 0.474453 0.747253
24 VO4 ADP 0.471429 0.734043
25 FAY 0.468927 0.827957
26 FAJ 0.462366 0.821053
27 BEF ADP 0.460432 0.731183
28 ADP MG 0.455882 0.747253
29 ADP BEF 0.455882 0.747253
30 JNT 0.452055 0.752688
31 ALF ADP 0.450704 0.701031
32 AF3 ADP 3PG 0.44586 0.714286
33 4TA 0.444444 0.819149
34 ATP A 0.443709 0.758242
35 ATP A A A 0.443709 0.758242
36 P5F 0.443243 0.87234
37 ADP BMA 0.439189 0.752688
38 UBG 0.436464 0.849462
39 ANP MG 0.430556 0.76087
40 NAJ PZO 0.427711 0.795699
41 ALF ADP 3PG 0.427673 0.714286
42 AHZ 0.426752 0.717172
43 AMP MG 0.422222 0.736264
44 DAL AMP 0.421769 0.76087
45 Z5A 0.421053 0.831579
46 NAD IBO 0.416149 0.769231
47 AP0 0.416149 0.776596
48 NAD TDB 0.416149 0.769231
49 AR6 AR6 0.414013 0.75
50 8LQ 0.412162 0.744681
51 M33 0.411348 0.741935
52 AMP DBH 0.410256 0.752688
53 ADP 0.407143 0.75
54 GAP 0.406897 0.752688
55 A2D 0.405797 0.75
56 FB0 0.404494 0.745098
57 AN2 0.404255 0.76087
58 APC MG 0.402778 0.731183
59 AMP NAD 0.401198 0.76087
60 NAJ PYZ 0.401163 0.762887
61 NAD CJ3 0.4 0.75
62 8QN 0.4 0.741935
63 BA3 0.4 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: FAD NBT; Similar ligands found: 0
No: Ligand Similarity coefficient
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
APoc FAQ
Feedback