Receptor
PDB id Resolution Class Description Source Keywords
1MXT 0.95 Å EC: 1.1.3.6 ATOMIC RESOLUTION STRUCTURE OF CHOLESTEROL OXIDASE (STREPTOMYCES SP. SA-COO) STREPTOMYCES SP. FLAVOENZYME STEROID METABOLISM OXIDOREDUCTASE ATOMIC RESOLUTION
Ref.: SUB-ATOMIC RESOLUTION CRYSTAL STRUCTURE OF CHOLESTEROL OXIDASE: WHAT ATOMIC RESOLUTION CRYSTALLOGRAPHY REVEALS ABOUT ENZYME MECHANISM AND THE ROLE OF FAD COFACTOR IN REDOX ACTIVITY J.MOL.BIOL. V. 326 1635 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAE A:510;
Valid;
none;
submit data
786.558 C27 H34 N9 O15 P2 Cc1cc...
OXY A:512;
Invalid;
none;
submit data
31.999 O2 O=O
SO4 A:511;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1N4W 0.92 Å EC: 1.1.3.6 ATOMIC RESOLUTION STRUCTURE OF CHOLESTEROL OXIDASE @ PH 7.3 (STREPTOMYCES SP. SA-COO) STREPTOMYCES SP. FLAVOENZYME STEROID METABOLISM OXIDOREDUCTASE ATOMIC RESO
Ref.: ATOMIC RESOLUTION CRYSTALLOGRAPHY REVEALS HOW CHANG SHAPE THE PROTEIN MICROENVIRONMENT NAT.CHEM.BIOL. V. 2 259 2006
Members (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4XWR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 1N1P - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 1CBO - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 3GYI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 1IJH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 4U2T - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 3CNJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 1N4U - FAE C27 H34 N9 O15 P2 Cc1cc2c(cc....
9 1B4V - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 1N4W - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
11 3GYJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
12 1B8S - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 1CC2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 4REK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 4U2L - SFD C27 H35 N9 O18 P2 S Cc1cc2c(cc....
16 4U2S - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
17 3B6D - FAE C27 H34 N9 O15 P2 Cc1cc2c(cc....
18 4XXG - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
19 1MXT - FAE C27 H34 N9 O15 P2 Cc1cc2c(cc....
20 2GEW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
21 1N4V - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
22 3B3R - FAE C27 H34 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4XWR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 1N1P - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 1CBO - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 3GYI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 1IJH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 4U2T - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 3CNJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 1N4U - FAE C27 H34 N9 O15 P2 Cc1cc2c(cc....
9 1B4V - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 1N4W - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
11 3GYJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
12 1B8S - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 1CC2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 4REK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 4U2L - SFD C27 H35 N9 O18 P2 S Cc1cc2c(cc....
16 4U2S - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
17 3B6D - FAE C27 H34 N9 O15 P2 Cc1cc2c(cc....
18 4XXG - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
19 1MXT - FAE C27 H34 N9 O15 P2 Cc1cc2c(cc....
20 2GEW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
21 1N4V - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
22 3B3R - FAE C27 H34 N9 O15 P2 Cc1cc2c(cc....
23 1COY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
24 3COX - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4XWR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 1N1P - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 1CBO - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 3GYI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 1IJH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 4U2T - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 3CNJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 1N4U - FAE C27 H34 N9 O15 P2 Cc1cc2c(cc....
9 1B4V - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 1N4W - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
11 3GYJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
12 1B8S - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 1CC2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 4REK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 4U2L - SFD C27 H35 N9 O18 P2 S Cc1cc2c(cc....
16 4U2S - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
17 3B6D - FAE C27 H34 N9 O15 P2 Cc1cc2c(cc....
18 4XXG - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
19 1MXT - FAE C27 H34 N9 O15 P2 Cc1cc2c(cc....
20 2GEW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
21 1N4V - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
22 3B3R - FAE C27 H34 N9 O15 P2 Cc1cc2c(cc....
23 1COY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
24 3COX - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAE; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 FAE 1 1
2 FAD 0.751773 0.987654
3 FAS 0.751773 0.987654
4 FAY 0.647059 0.975309
5 RFL 0.642857 0.952381
6 6FA 0.590909 0.97561
7 FMN 0.539062 0.865854
8 SFD 0.487952 0.851064
9 FDA 0.46988 0.896552
10 RBF 0.457364 0.780488
11 FNK 0.442529 0.866667
12 F2N 0.418478 0.876405
13 62F 0.418079 0.927711
14 6YU 0.407035 0.851064
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1N4W; Ligand: FAD; 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: 1n4w.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback