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Chlorine in PDB 1ahz: Structure of the Octameric Flavoenzyme Vanillyl-Alcohol Oxidase in Complex with 4-(1-Heptenyl)Phenol

Enzymatic activity of Structure of the Octameric Flavoenzyme Vanillyl-Alcohol Oxidase in Complex with 4-(1-Heptenyl)Phenol

All present enzymatic activity of Structure of the Octameric Flavoenzyme Vanillyl-Alcohol Oxidase in Complex with 4-(1-Heptenyl)Phenol:
1.1.3.13;

Protein crystallography data

The structure of Structure of the Octameric Flavoenzyme Vanillyl-Alcohol Oxidase in Complex with 4-(1-Heptenyl)Phenol, PDB code: 1ahz 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 / 3.30
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 140.970, 140.970, 133.450, 90.00, 90.00, 90.00
R / Rfree (%) 22.4 / 26.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the Octameric Flavoenzyme Vanillyl-Alcohol Oxidase in Complex with 4-(1-Heptenyl)Phenol (pdb code 1ahz). 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 in Complex with 4-(1-Heptenyl)Phenol, PDB code: 1ahz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1ahz

Go back to Chlorine Binding Sites List in 1ahz
Chlorine binding site 1 out of 2 in the Structure of the Octameric Flavoenzyme Vanillyl-Alcohol Oxidase in Complex with 4-(1-Heptenyl)Phenol


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 in Complex with 4-(1-Heptenyl)Phenol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:34.0
occ:1.00
O A:LEU171 3.1 50.0 1.0
O2' A:FAD600 3.2 23.1 1.0
C10 A:FAD600 3.4 14.4 1.0
C4X A:FAD600 3.5 12.9 1.0
CB A:LEU171 3.5 32.9 1.0
N10 A:FAD600 3.5 13.4 1.0
N5 A:FAD600 3.5 13.0 1.0
C9A A:FAD600 3.5 11.8 1.0
C5X A:FAD600 3.6 14.0 1.0
N A:LEU171 3.6 29.6 1.0
C3' A:FAD600 3.7 17.8 1.0
C A:LEU171 3.9 40.0 1.0
C2' A:FAD600 3.9 17.8 1.0
CA A:LEU171 3.9 33.3 1.0
OH A:TYR51 3.9 52.3 1.0
CG A:LEU171 3.9 33.1 1.0
CD1 A:LEU171 4.1 29.9 1.0
N1 A:FAD600 4.2 15.2 1.0
C9 A:FAD600 4.2 10.7 1.0
C1' A:FAD600 4.3 14.3 1.0
C4 A:FAD600 4.3 14.8 1.0
CB A:PRO169 4.3 12.4 1.0
C6 A:FAD600 4.3 11.6 1.0
C4' A:FAD600 4.4 12.0 1.0
N A:ASP170 4.5 24.1 1.0
CG A:PRO169 4.5 22.9 1.0
C A:ASP170 4.5 39.6 1.0
O4' A:FAD600 4.8 8.8 1.0
C2 A:FAD600 4.8 18.0 1.0
O3' A:FAD600 4.8 21.4 1.0
CA A:ASP170 4.8 24.9 1.0
C8 A:FAD600 4.9 9.8 1.0
N3 A:FAD600 4.9 17.0 1.0
C7 A:FAD600 4.9 9.0 1.0
O4 A:FAD600 4.9 14.1 1.0
CZ A:TYR51 4.9 48.5 1.0

Chlorine binding site 2 out of 2 in 1ahz

Go back to Chlorine Binding Sites List in 1ahz
Chlorine binding site 2 out of 2 in the Structure of the Octameric Flavoenzyme Vanillyl-Alcohol Oxidase in Complex with 4-(1-Heptenyl)Phenol


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 in Complex with 4-(1-Heptenyl)Phenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl601

b:34.0
occ:1.00
O B:LEU171 3.1 50.0 1.0
O2' B:FAD600 3.2 23.1 1.0
C10 B:FAD600 3.4 14.4 1.0
C4X B:FAD600 3.5 12.9 1.0
CB B:LEU171 3.5 32.9 1.0
N10 B:FAD600 3.5 13.4 1.0
N5 B:FAD600 3.5 13.0 1.0
C9A B:FAD600 3.5 11.8 1.0
C5X B:FAD600 3.6 14.0 1.0
N B:LEU171 3.6 29.6 1.0
C3' B:FAD600 3.7 17.8 1.0
C B:LEU171 3.9 40.0 1.0
C2' B:FAD600 3.9 17.8 1.0
CA B:LEU171 3.9 33.3 1.0
OH B:TYR51 3.9 52.3 1.0
CG B:LEU171 3.9 33.1 1.0
CD1 B:LEU171 4.1 29.9 1.0
N1 B:FAD600 4.2 15.2 1.0
C9 B:FAD600 4.2 10.7 1.0
C1' B:FAD600 4.3 14.3 1.0
C4 B:FAD600 4.3 14.8 1.0
CB B:PRO169 4.3 12.4 1.0
C6 B:FAD600 4.3 11.6 1.0
C4' B:FAD600 4.4 12.0 1.0
N B:ASP170 4.5 24.1 1.0
CG B:PRO169 4.5 22.9 1.0
C B:ASP170 4.5 39.6 1.0
O4' B:FAD600 4.8 8.8 1.0
C2 B:FAD600 4.8 18.0 1.0
O3' B:FAD600 4.8 21.4 1.0
CA B:ASP170 4.8 24.9 1.0
C8 B:FAD600 4.9 9.8 1.0
N3 B:FAD600 4.9 17.0 1.0
C7 B:FAD600 4.9 9.0 1.0
O4 B:FAD600 4.9 14.1 1.0
CZ B:TYR51 4.9 48.5 1.0

Reference:

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
Page generated: Sat Dec 12 08:31:38 2020

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