Chlorine in PDB 1vao: Structure of the Octameric Flavoenzyme Vanillyl-Alcohol Oxidase

All present enzymatic activity of Structure of the Octameric Flavoenzyme Vanillyl-Alcohol Oxidase:
1.1.3.13;

The structure of Structure of the Octameric Flavoenzyme Vanillyl-Alcohol Oxidase, PDB code: 1vao was solved by A.Mattevi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.50
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	130.240, 130.240, 133.510, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 29.7

The binding sites of Chlorine atom in the Structure of the Octameric Flavoenzyme Vanillyl-Alcohol Oxidase (pdb code 1vao). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of the Octameric Flavoenzyme Vanillyl-Alcohol Oxidase, PDB code: 1vao:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of the Octameric Flavoenzyme Vanillyl-Alcohol Oxidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Octameric Flavoenzyme Vanillyl-Alcohol Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:26.8 occ:1.00 N A:LEU171 3.0 22.6 1.0 N5 A:FAD600 3.3 24.9 1.0 C5X A:FAD600 3.3 22.1 1.0 C4X A:FAD600 3.4 26.0 1.0 CA A:LEU171 3.5 23.0 1.0 C9A A:FAD600 3.6 21.4 1.0 CB A:LEU171 3.6 23.8 0.0 C10 A:FAD600 3.6 21.5 1.0 N10 A:FAD600 3.7 22.1 1.0 O2' A:FAD600 3.7 25.2 1.0 CB A:PRO169 3.9 21.9 1.0 N A:ASP170 3.9 20.1 1.0 O A:LEU171 4.0 39.5 1.0 C A:ASP170 4.0 21.6 1.0 C6 A:FAD600 4.0 21.3 1.0 C4 A:FAD600 4.0 27.0 1.0 C A:LEU171 4.2 36.2 1.0 CA A:ASP170 4.3 19.1 1.0 CG A:PRO169 4.3 19.4 1.0 C3' A:FAD600 4.4 24.4 1.0 CB A:ASP170 4.4 25.1 1.0 N1 A:FAD600 4.4 21.6 1.0 C A:PRO169 4.4 28.1 1.0 C9 A:FAD600 4.4 22.1 1.0 C2' A:FAD600 4.5 23.8 1.0 O4 A:FAD600 4.5 27.8 1.0 CG A:LEU171 4.6 29.3 0.0 C1' A:FAD600 4.7 22.6 1.0 N3 A:FAD600 4.7 26.1 1.0 CA A:PRO169 4.8 23.9 1.0 C7 A:FAD600 4.8 19.3 1.0 C2 A:FAD600 4.8 23.2 1.0 O A:PRO169 5.0 29.0 1.0 C4' A:FAD600 5.0 23.1 1.0 C8 A:FAD600 5.0 19.0 1.0 OH A:TYR51 5.0 33.6 1.0 CD A:PRO169 5.0 15.5 1.0

Chlorine binding site 2 out of 2 in the Structure of the Octameric Flavoenzyme Vanillyl-Alcohol Oxidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Octameric Flavoenzyme Vanillyl-Alcohol Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:42.5 occ:1.00 N B:LEU171 3.1 22.6 1.0 N5 B:FAD600 3.5 24.9 1.0 C4X B:FAD600 3.5 26.0 1.0 C5X B:FAD600 3.6 22.1 1.0 C10 B:FAD600 3.6 21.5 1.0 CA B:LEU171 3.6 23.0 1.0 O2' B:FAD600 3.6 25.2 1.0 C9A B:FAD600 3.7 21.4 1.0 N10 B:FAD600 3.7 22.1 1.0 CB B:PRO169 3.7 21.9 1.0 CB B:LEU171 3.8 23.8 0.0 O B:LEU171 3.9 39.5 1.0 N B:ASP170 4.0 20.1 1.0 C4 B:FAD600 4.1 27.0 1.0 CG B:PRO169 4.1 19.4 1.0 C3' B:FAD600 4.1 24.4 1.0 C B:LEU171 4.2 36.2 1.0 C B:ASP170 4.2 21.6 1.0 N1 B:FAD600 4.3 21.6 1.0 C6 B:FAD600 4.3 21.3 1.0 C2' B:FAD600 4.3 23.8 1.0 C B:PRO169 4.4 28.1 1.0 CA B:ASP170 4.4 19.1 1.0 C9 B:FAD600 4.6 22.1 1.0 O4 B:FAD600 4.6 27.8 1.0 C1' B:FAD600 4.6 22.6 1.0 CB B:ASP170 4.6 25.1 1.0 N3 B:FAD600 4.6 26.1 1.0 CA B:PRO169 4.7 23.9 1.0 C4' B:FAD600 4.7 23.1 1.0 C2 B:FAD600 4.7 23.2 1.0 O4' B:FAD600 4.8 25.5 1.0 CG B:LEU171 4.8 29.3 0.0 CD B:PRO169 4.8 15.5 1.0 OH B:TYR51 5.0 33.6 1.0 O B:PRO169 5.0 29.0 1.0

A.Mattevi, M.W.Fraaije, A.Mozzarelli, L.Olivi, A.Coda, W.J.Van Berkel. Crystal Structures and Inhibitor Binding in the Octameric Flavoenzyme Vanillyl-Alcohol Oxidase: the Shape of the Active-Site Cavity Controls Substrate Specificity. Structure V. 5 907 1997.
ISSN: ISSN 0969-2126
PubMed: 9261083
DOI: 10.1016/S0969-2126(97)00245-1