Chlorine in PDB 8rqh: Crystal Structure of the Flavoprotein Monooxygenase Trle From Streptomyces Cyaneofuscatus SOC7

The structure of Crystal Structure of the Flavoprotein Monooxygenase Trle From Streptomyces Cyaneofuscatus SOC7, PDB code: 8rqh was solved by S.T.Sowa, L.S.Hoeing, R.P.Jakob, T.Maier, R.Teufel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.57 / 2.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	112.9, 112.9, 148.57, 90, 90, 120
R / Rfree (%)	19.1 / 23.9

The binding sites of Chlorine atom in the Crystal Structure of the Flavoprotein Monooxygenase Trle From Streptomyces Cyaneofuscatus SOC7 (pdb code 8rqh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Flavoprotein Monooxygenase Trle From Streptomyces Cyaneofuscatus SOC7, PDB code: 8rqh:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Flavoprotein Monooxygenase Trle From Streptomyces Cyaneofuscatus SOC7


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Flavoprotein Monooxygenase Trle From Streptomyces Cyaneofuscatus SOC7 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:60.9 occ:1.00 O A:HOH619 2.9 47.4 1.0 O A:HOH653 3.0 45.8 1.0 N A:GLY307 3.2 42.9 1.0 C10 A:FAD501 3.3 55.8 1.0 N10 A:FAD501 3.3 59.9 1.0 CA A:PRO302 3.3 50.2 1.0 N A:GLN306 3.4 43.9 1.0 N1 A:FAD501 3.5 53.6 1.0 C1' A:FAD501 3.6 59.8 1.0 C A:PRO302 3.8 49.8 1.0 C9A A:FAD501 3.9 61.5 1.0 C4X A:FAD501 3.9 60.3 1.0 CA A:GLY307 3.9 42.6 1.0 O A:LEU301 3.9 49.5 1.0 O A:PRO302 3.9 59.5 1.0 N A:GLY305 4.0 45.1 1.0 CA A:GLY305 4.0 46.0 1.0 CB A:PRO302 4.1 47.7 1.0 C A:GLY305 4.1 49.0 1.0 C2 A:FAD501 4.1 56.0 1.0 C A:GLN306 4.2 50.8 1.0 N A:PRO302 4.3 48.4 1.0 CA A:GLN306 4.3 47.3 1.0 C5X A:FAD501 4.3 64.3 1.0 N5 A:FAD501 4.4 54.0 1.0 C A:LEU301 4.5 49.8 1.0 C4 A:FAD501 4.5 54.7 1.0 C9 A:FAD501 4.6 55.4 1.0 N A:HIS303 4.6 50.8 1.0 N3 A:FAD501 4.6 52.7 1.0 CG A:MET300 4.7 59.9 1.0 O2 A:FAD501 4.8 55.1 1.0 N A:HIS304 5.0 48.8 1.0 O A:MET300 5.0 39.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Flavoprotein Monooxygenase Trle From Streptomyces Cyaneofuscatus SOC7


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Flavoprotein Monooxygenase Trle From Streptomyces Cyaneofuscatus SOC7 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:63.2 occ:1.00 O B:HOH633 2.8 42.2 1.0 O B:HOH610 2.9 53.7 1.0 N B:GLY307 3.1 49.6 1.0 CA B:PRO302 3.2 61.3 1.0 N B:GLN306 3.4 51.4 1.0 C10 B:FAD501 3.4 57.5 1.0 N10 B:FAD501 3.5 60.6 1.0 N1 B:FAD501 3.6 57.2 1.0 C1' B:FAD501 3.8 57.2 1.0 O B:LEU301 3.8 51.9 1.0 C B:PRO302 3.8 54.9 1.0 CA B:GLY307 3.8 46.9 1.0 C4X B:FAD501 3.9 58.6 1.0 CB B:PRO302 4.0 56.0 1.0 C9A B:FAD501 4.0 64.2 1.0 O B:PRO302 4.0 69.6 1.0 N B:GLY305 4.1 50.5 1.0 CA B:GLY305 4.1 53.1 1.0 C B:GLY305 4.1 54.1 1.0 N B:PRO302 4.1 57.5 1.0 C B:GLN306 4.1 48.8 1.0 C2 B:FAD501 4.2 57.4 1.0 CA B:GLN306 4.3 50.2 1.0 C B:LEU301 4.3 55.5 1.0 C5X B:FAD501 4.4 64.8 1.0 N5 B:FAD501 4.5 57.6 1.0 N3 B:FAD501 4.6 53.0 1.0 C4 B:FAD501 4.6 53.8 1.0 N B:HIS303 4.6 56.1 1.0 CG B:MET300 4.6 61.1 1.0 C9 B:FAD501 4.7 56.2 1.0 SD B:MET300 4.9 64.1 1.0 O B:MET300 4.9 57.6 1.0 O2 B:FAD501 4.9 51.0 1.0 N B:HIS304 4.9 52.7 1.0

L.S.Hoeing, S.T.Sowa, M.Toplak, J.Reinhardt, R.P.Jakob, T.Maier, M.Lill, R.Teufel. Biosynthesis of the Bacterial Antibiotic Dihydroxytropolone Through Enzymatic Salvaging of Catabolic Shunt Products To Be Published 2024.
DOI: 10.1039/D4SC01715C