Chlorine in PDB 4ovi: Phenylacetone Monooxygenase: Oxidised Enzyme in Complex with Apadp

All present enzymatic activity of Phenylacetone Monooxygenase: Oxidised Enzyme in Complex with Apadp:
1.14.13.92;

The structure of Phenylacetone Monooxygenase: Oxidised Enzyme in Complex with Apadp, PDB code: 4ovi was solved by C.Martinoli, M.W.Fraaije, A.Mattevi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.87
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	107.238, 107.238, 107.135, 90.00, 90.00, 120.00
R / Rfree (%)	22.1 / 27.7

The binding sites of Chlorine atom in the Phenylacetone Monooxygenase: Oxidised Enzyme in Complex with Apadp (pdb code 4ovi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Phenylacetone Monooxygenase: Oxidised Enzyme in Complex with Apadp, PDB code: 4ovi:

Chlorine binding site 1 out of 1 in the Phenylacetone Monooxygenase: Oxidised Enzyme in Complex with Apadp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Phenylacetone Monooxygenase: Oxidised Enzyme in Complex with Apadp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:41.5 occ:1.00 C10 A:FAD601 2.9 30.7 1.0 O2D A:N01602 3.0 31.2 1.0 C4X A:FAD601 3.3 30.9 1.0 C2D A:N01602 3.3 32.3 1.0 N10 A:FAD601 3.4 28.0 1.0 NE A:ARG337 3.4 38.2 1.0 N1 A:FAD601 3.6 27.8 1.0 C9A A:FAD601 3.6 27.9 1.0 C1D A:N01602 3.6 31.7 1.0 NH2 A:ARG337 3.6 33.6 1.0 C2N A:N01602 3.6 36.2 1.0 N5 A:FAD601 3.7 33.8 1.0 C4 A:FAD601 3.7 36.9 1.0 CZ A:ARG337 3.8 41.7 1.0 C5X A:FAD601 3.9 29.3 1.0 C1' A:FAD601 4.0 27.4 1.0 C2 A:FAD601 4.0 31.4 1.0 N3 A:FAD601 4.1 32.4 1.0 CAA A:N01602 4.1 48.6 1.0 N1N A:N01602 4.2 36.1 1.0 CD A:ARG337 4.3 44.4 1.0 OD1 A:ASP66 4.4 35.5 1.0 O4 A:FAD601 4.4 39.5 1.0 C9 A:FAD601 4.5 26.2 1.0 OD2 A:ASP66 4.6 41.1 1.0 C3N A:N01602 4.7 40.4 1.0 C3D A:N01602 4.8 27.6 1.0 O4D A:N01602 4.8 30.5 1.0 C7N A:N01602 4.8 45.7 1.0 C6 A:FAD601 4.9 27.6 1.0 O2 A:FAD601 4.9 28.0 1.0 CG A:ASP66 4.9 32.0 1.0 CD1 A:LEU153 4.9 28.4 1.0 NH1 A:ARG337 5.0 34.1 1.0

C.Martinoli, H.M.Dudek, R.Orru, D.E.Edmondson, M.W.Fraaije, A.Mattevi. Beyond the Protein Matrix: Probing Cofactor Variants in A Baeyer-Villiger Oxygenation Reaction. Acs Catalysis V. 3 3058 2013.
ISSN: ESSN 2155-5435
PubMed: 24443704
DOI: 10.1021/CS400837Z