Chlorine in PDB 7al4: Ancestral Flavin-Containing Monooxygenase (Fmo) 1 (Mammalian)

All present enzymatic activity of Ancestral Flavin-Containing Monooxygenase (Fmo) 1 (Mammalian):
1.14.13.8;

The structure of Ancestral Flavin-Containing Monooxygenase (Fmo) 1 (Mammalian), PDB code: 7al4 was solved by C.R.Nicoll, A.Mattevi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.10 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	115.919, 92.453, 156.688, 90, 95.12, 90
R / Rfree (%)	22.8 / 26.4

The binding sites of Chlorine atom in the Ancestral Flavin-Containing Monooxygenase (Fmo) 1 (Mammalian) (pdb code 7al4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Ancestral Flavin-Containing Monooxygenase (Fmo) 1 (Mammalian), PDB code: 7al4:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Ancestral Flavin-Containing Monooxygenase (Fmo) 1 (Mammalian)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ancestral Flavin-Containing Monooxygenase (Fmo) 1 (Mammalian) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl605 b:43.4 occ:1.00 O D:HIS178 3.4 53.5 1.0 N D:HIS178 3.5 46.6 1.0 N D:LYS177 3.6 38.4 1.0 CG2 D:ILE181 3.6 63.7 1.0 CD1 D:TYR176 4.1 39.4 1.0 CB D:LYS177 4.2 42.0 1.0 CA D:LYS177 4.3 40.3 1.0 CD1 D:ILE181 4.3 64.0 1.0 C D:HIS178 4.3 50.2 1.0 CA D:HIS178 4.4 50.8 1.0 O D:GLN175 4.4 30.0 1.0 C D:LYS177 4.4 43.3 1.0 CG1 D:ILE181 4.4 60.6 1.0 CA D:TYR176 4.5 36.2 1.0 C D:TYR176 4.5 36.6 1.0 CE1 D:TYR176 4.5 40.6 1.0 CB D:ILE181 4.6 61.1 1.0 CB D:HIS178 4.8 54.3 1.0

Chlorine binding site 2 out of 3 in the Ancestral Flavin-Containing Monooxygenase (Fmo) 1 (Mammalian)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ancestral Flavin-Containing Monooxygenase (Fmo) 1 (Mammalian) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl605 b:56.7 occ:1.00 CG2 B:ILE181 3.5 94.7 1.0 O B:HIS178 3.5 62.8 1.0 N B:LYS177 3.7 52.7 1.0 N B:HIS178 3.7 60.5 1.0 CD1 B:ILE181 4.1 102.3 1.0 CD1 B:TYR176 4.1 44.0 1.0 CG1 B:ILE181 4.2 95.8 1.0 CB B:LYS177 4.4 62.4 1.0 CA B:LYS177 4.4 58.1 1.0 O B:GLN175 4.4 53.1 1.0 C B:HIS178 4.4 64.7 1.0 CB B:ILE181 4.5 89.5 1.0 CA B:TYR176 4.5 47.2 1.0 CE1 B:TYR176 4.5 43.6 1.0 CA B:HIS178 4.6 64.6 1.0 C B:TYR176 4.6 51.5 1.0 C B:LYS177 4.6 57.9 1.0 CB B:HIS178 5.0 62.2 1.0

Chlorine binding site 3 out of 3 in the Ancestral Flavin-Containing Monooxygenase (Fmo) 1 (Mammalian)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ancestral Flavin-Containing Monooxygenase (Fmo) 1 (Mammalian) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:84.1 occ:1.00 NZ A:LYS177 3.2 60.1 1.0 OG1 A:THR44 3.2 49.8 1.0 NH1 A:ARG51 3.6 59.1 1.0 CA A:SER53 3.6 56.5 1.0 N A:THR44 3.7 44.1 1.0 N A:LEU54 3.7 44.8 1.0 OG A:SER53 3.8 63.1 1.0 O A:ALA52 3.8 43.9 1.0 NH2 A:ARG51 3.8 51.7 1.0 O A:ARG42 3.9 37.3 1.0 CZ A:ARG51 4.1 53.6 1.0 CB A:SER53 4.1 60.0 1.0 O A:THR44 4.1 53.6 1.0 O A:HIS46 4.2 65.4 1.0 C A:SER53 4.2 52.2 1.0 CB A:THR44 4.3 48.3 1.0 CA A:THR44 4.5 49.3 1.0 CE A:LYS177 4.5 55.4 1.0 N A:SER53 4.6 56.3 1.0 C A:ALA52 4.6 52.2 1.0 CB A:LEU54 4.6 40.7 1.0 CA A:PHE43 4.6 40.4 1.0 O A:LEU54 4.7 46.0 1.0 C A:PHE43 4.7 41.1 1.0 C A:THR44 4.7 55.7 1.0 CA A:LEU54 4.7 42.2 1.0 CG2 A:THR44 4.8 49.8 1.0 C A:ARG42 4.9 37.6 1.0

G.Bailleul, C.R.Nicoll, M.L.Mascotti, A.Mattevi, M.W.Fraaije. Ancestral Reconstruction of Mammalian FMO1 Enables Structural Determination, Revealing Unique Features That Explain Its Catalytic Properties J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X