Receptor
PDB id Resolution Class Description Source Keywords
5LGB 1.8 Å EC: 1.5.3.13 CRYSTAL STRUCTURE OF MURINE N1-ACETYLPOLYAMINE OXIDASE IN CO MDL72527 MUS MUSCULUS FLAVIN AMINE OXIDASE OXIDOREDUCTASE
Ref.: THE STRUCTURE OF MURINE N(1)-ACETYLSPERMINE OXIDASE MOLECULAR DETAILS OF VERTEBRATE POLYAMINE CATABOLIS BIOCHEMISTRY V. 56 458 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6YU A:601;
Valid;
none;
submit data
977.85 C39 H53 N11 O15 P2 Cc1cc...
MD2 A:602;
Valid;
none;
submit data
192.301 C12 H20 N2 C=C=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MBX 1.4 Å EC: 1.5.3.13 CRYSTAL STRUCTURE OF REDUCED MURINE N1-ACETYLPOLYAMINE OXIDA COMPLEX WITH N1-ACETYLSPERMINE MUS MUSCULUS FLAVIN AMINE OXIDASE OXIDOREDUCTASE
Ref.: THE STRUCTURE OF MURINE N(1)-ACETYLSPERMINE OXIDASE MOLECULAR DETAILS OF VERTEBRATE POLYAMINE CATABOLIS BIOCHEMISTRY V. 56 458 2017
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5MBX - SP5 C12 H28 N4 O CC(=O)NCCC....
2 5LGB - MD2 C12 H20 N2 C=C=CCNCCC....
3 5LAE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 5LFO - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5MBX - SP5 C12 H28 N4 O CC(=O)NCCC....
2 5LGB - MD2 C12 H20 N2 C=C=CCNCCC....
3 5LAE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 5LFO - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5MBX - SP5 C12 H28 N4 O CC(=O)NCCC....
2 5LGB - MD2 C12 H20 N2 C=C=CCNCCC....
3 5LAE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 5LFO - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6YU; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 6YU 1 1
2 FNK 0.684524 0.894737
3 F2N 0.646067 0.924731
4 FDA 0.586207 0.903226
5 FAD NBT 0.531915 0.84
6 FAD CNX 0.528796 0.888889
7 SFD 0.52459 0.754717
8 FAD 0.516304 0.860215
9 FAS 0.516304 0.860215
10 FAD NBA 0.515152 0.908163
11 6FA 0.505435 0.851064
12 FAY 0.494737 0.849462
13 RFL 0.484375 0.852632
14 62F 0.481675 0.829787
15 FA9 0.47 0.851064
16 P5F 0.469697 0.873684
17 FB0 0.465241 0.85567
18 P6G FDA 0.42233 0.904255
19 FAE 0.407035 0.851064
20 APR 0.40625 0.734043
21 AR6 0.40625 0.734043
Ligand no: 2; Ligand: MD2; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MD2 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MBX; Ligand: FAD; Similar sites found with APoc: 23
This union binding pocket(no: 1) in the query (biounit: 5mbx.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
1 3X0V FAD 3.82294
2 2JB2 FAD 5.31697
3 2JB2 PHE 5.31697
4 2VVL FAD 5.45455
5 2IVD FAD 5.85774
6 5TTJ FAD 7.24346
7 5ZBC FAD 8.86918
8 3QJ4 FAD 9.35672
9 5G3U FDA 9.45626
10 4IV9 FAD 10.0604
11 3NKS FAD 16.1426
12 2Z3Y F2N 23.34
13 5TS5 FAD 28.3058
14 1REO FAD 30.0412
15 2YG3 FAD 38.1898
16 4FWE FAD 39.4366
17 4HSU FAD 39.4366
18 4GUS FAD 39.4366
19 4GUT FAD 39.4366
20 1RSG FAD 39.839
21 1YY5 FAD 41.2475
22 1H82 FAD 44.9153
23 1H82 GZZ 44.9153
Pocket No.: 2; Query (leader) PDB : 5MBX; Ligand: SP5; Similar sites found with APoc: 23
This union binding pocket(no: 2) in the query (biounit: 5mbx.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
1 3X0V FAD 3.82294
2 2JB2 FAD 5.31697
3 2JB2 PHE 5.31697
4 2VVL FAD 5.45455
5 2IVD FAD 5.85774
6 5TTJ FAD 7.24346
7 5ZBC FAD 8.86918
8 3QJ4 FAD 9.35672
9 5G3U FDA 9.45626
10 4IV9 FAD 10.0604
11 3NKS FAD 16.1426
12 2Z3Y F2N 23.34
13 5TS5 FAD 28.3058
14 1REO FAD 30.0412
15 2YG3 FAD 38.1898
16 4FWE FAD 39.4366
17 4HSU FAD 39.4366
18 4GUS FAD 39.4366
19 4GUT FAD 39.4366
20 1RSG FAD 39.839
21 1YY5 FAD 41.2475
22 1H82 FAD 44.9153
23 1H82 GZZ 44.9153
APoc FAQ
Feedback