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Fluorine in PDB 1e8g: Structure of the H61T Double Mutant of Vanillyl-Alcohol Oxidase in Complex with Fluoro-Cresol

Enzymatic activity of Structure of the H61T Double Mutant of Vanillyl-Alcohol Oxidase in Complex with Fluoro-Cresol

All present enzymatic activity of Structure of the H61T Double Mutant of Vanillyl-Alcohol Oxidase in Complex with Fluoro-Cresol:
1.1.3.38;

Protein crystallography data

The structure of Structure of the H61T Double Mutant of Vanillyl-Alcohol Oxidase in Complex with Fluoro-Cresol, PDB code: 1e8g was solved by M.W.Fraaije, A.Mattevi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 2.10
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 130.288, 130.288, 132.543, 90.00, 90.00, 90.00
R / Rfree (%) 21.8 / 25.8

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of the H61T Double Mutant of Vanillyl-Alcohol Oxidase in Complex with Fluoro-Cresol (pdb code 1e8g). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Structure of the H61T Double Mutant of Vanillyl-Alcohol Oxidase in Complex with Fluoro-Cresol, PDB code: 1e8g:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 1e8g

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Fluorine binding site 1 out of 6 in the Structure of the H61T Double Mutant of Vanillyl-Alcohol Oxidase in Complex with Fluoro-Cresol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the H61T Double Mutant of Vanillyl-Alcohol Oxidase in Complex with Fluoro-Cresol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:49.0
occ:1.00
 F1 A:FCR601 0.0 49.0 1.0
C7 A:FCR601 1.3 47.8 1.0
F2 A:FCR601 2.1 49.9 1.0
F3 A:FCR601 2.1 48.4 1.0
C1 A:FCR601 2.4 46.6 1.0
OD2 A:ASP170 2.9 56.0 1.0
O4 A:FAD600 3.0 42.4 1.0
N5 A:FAD600 3.0 43.8 1.0
O A:HOH2046 3.2 47.3 1.0
OH A:TYR187 3.2 37.9 1.0
C2 A:FCR601 3.3 45.4 1.0
C6 A:FCR601 3.3 45.0 1.0
CG A:ASP170 3.4 53.5 1.0
C4 A:FAD600 3.5 42.5 1.0
C4X A:FAD600 3.5 43.0 1.0
CB A:ASP170 3.8 51.2 1.0
C5X A:FAD600 3.9 43.7 1.0
C6 A:FAD600 4.1 43.5 1.0
OD1 A:ASP170 4.3 55.0 1.0
CZ A:TYR187 4.4 36.9 1.0
N3 A:FAD600 4.6 41.8 1.0
C3 A:FCR601 4.6 44.1 1.0
C5 A:FCR601 4.6 43.9 1.0
C10 A:FAD600 4.8 42.0 1.0
CE2 A:TYR187 4.8 37.8 1.0
N A:ASP170 4.9 45.4 1.0
CA A:ASP170 4.9 48.6 1.0

Fluorine binding site 2 out of 6 in 1e8g

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Fluorine binding site 2 out of 6 in the Structure of the H61T Double Mutant of Vanillyl-Alcohol Oxidase in Complex with Fluoro-Cresol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of the H61T Double Mutant of Vanillyl-Alcohol Oxidase in Complex with Fluoro-Cresol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:49.9
occ:1.00
 F2 A:FCR601 0.0 49.9 1.0
C7 A:FCR601 1.4 47.8 1.0
F3 A:FCR601 2.1 48.4 1.0
F1 A:FCR601 2.1 49.0 1.0
C1 A:FCR601 2.3 46.6 1.0
C6 A:FCR601 2.6 45.0 1.0
OH A:TYR187 3.0 37.9 1.0
O A:HOH2046 3.1 47.3 1.0
C2 A:FCR601 3.5 45.4 1.0
OG1 A:THR457 3.6 49.4 1.0
CG2 A:THR459 3.7 38.0 1.0
C5 A:FCR601 4.0 43.9 1.0
CG1 A:ILE468 4.0 40.5 1.0
O4 A:FAD600 4.1 42.4 1.0
CZ A:TYR187 4.2 36.9 1.0
OD2 A:ASP170 4.3 56.0 1.0
CB A:ILE468 4.4 40.2 1.0
O A:HOH2108 4.5 39.6 1.0
CB A:THR457 4.5 45.8 1.0
C4 A:FAD600 4.6 42.5 1.0
C3 A:FCR601 4.6 44.1 1.0
CG2 A:ILE468 4.7 40.7 1.0
C4 A:FCR601 4.8 43.3 1.0
CE1 A:TYR187 4.8 36.7 1.0
N5 A:FAD600 4.9 43.8 1.0

Fluorine binding site 3 out of 6 in 1e8g

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Fluorine binding site 3 out of 6 in the Structure of the H61T Double Mutant of Vanillyl-Alcohol Oxidase in Complex with Fluoro-Cresol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of the H61T Double Mutant of Vanillyl-Alcohol Oxidase in Complex with Fluoro-Cresol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:48.4
occ:1.00
 F3 A:FCR601 0.0 48.4 1.0
C7 A:FCR601 1.3 47.8 1.0
F2 A:FCR601 2.1 49.9 1.0
F1 A:FCR601 2.1 49.0 1.0
C1 A:FCR601 2.3 46.6 1.0
C2 A:FCR601 2.7 45.4 1.0
C6 A:FCR601 3.5 45.0 1.0
CG2 A:ILE468 3.7 40.7 1.0
OG1 A:THR457 3.7 49.4 1.0
C3 A:FCR601 4.0 44.1 1.0
CB A:ILE468 4.1 40.2 1.0
CG1 A:ILE468 4.3 40.5 1.0
OD2 A:ASP170 4.4 56.0 1.0
N5 A:FAD600 4.4 43.8 1.0
O A:HOH2046 4.4 47.3 1.0
C5 A:FCR601 4.6 43.9 1.0
CE1 A:PHE424 4.6 40.2 1.0
C5X A:FAD600 4.8 43.7 1.0
C4 A:FCR601 4.8 43.3 1.0
OH A:TYR187 4.8 37.9 1.0
SG A:CYS470 4.8 43.4 1.0
C6 A:FAD600 4.8 43.5 1.0
C4X A:FAD600 4.9 43.0 1.0
O4 A:FAD600 4.9 42.4 1.0
CZ A:PHE424 4.9 39.8 1.0

Fluorine binding site 4 out of 6 in 1e8g

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Fluorine binding site 4 out of 6 in the Structure of the H61T Double Mutant of Vanillyl-Alcohol Oxidase in Complex with Fluoro-Cresol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of the H61T Double Mutant of Vanillyl-Alcohol Oxidase in Complex with Fluoro-Cresol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:49.0
occ:1.00
 F1 B:FCR601 0.0 49.0 1.0
C7 B:FCR601 1.3 47.8 1.0
F3 B:FCR601 2.1 48.4 1.0
F2 B:FCR601 2.2 50.1 1.0
C1 B:FCR601 2.4 46.5 1.0
OD2 B:ASP170 2.9 55.7 1.0
N5 B:FAD600 2.9 44.0 1.0
O4 B:FAD600 3.1 43.1 1.0
C2 B:FCR601 3.2 45.2 1.0
C6 B:FCR601 3.4 45.0 1.0
OH B:TYR187 3.4 38.0 1.0
CG B:ASP170 3.5 53.1 1.0
C4X B:FAD600 3.5 43.3 1.0
C4 B:FAD600 3.5 42.7 1.0
C5X B:FAD600 3.7 43.6 1.0
CB B:ASP170 3.8 50.7 1.0
C6 B:FAD600 3.9 43.6 1.0
OD1 B:ASP170 4.4 54.2 1.0
C3 B:FCR601 4.5 44.1 1.0
CZ B:TYR187 4.5 36.4 1.0
C5 B:FCR601 4.6 43.9 1.0
N3 B:FAD600 4.7 42.2 1.0
C10 B:FAD600 4.7 42.1 1.0
C9A B:FAD600 4.9 43.3 1.0
N B:ASP170 5.0 45.6 1.0

Fluorine binding site 5 out of 6 in 1e8g

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Fluorine binding site 5 out of 6 in the Structure of the H61T Double Mutant of Vanillyl-Alcohol Oxidase in Complex with Fluoro-Cresol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of the H61T Double Mutant of Vanillyl-Alcohol Oxidase in Complex with Fluoro-Cresol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:50.1
occ:1.00
 F2 B:FCR601 0.0 50.1 1.0
C7 B:FCR601 1.4 47.8 1.0
F3 B:FCR601 2.1 48.4 1.0
F1 B:FCR601 2.2 49.0 1.0
C1 B:FCR601 2.3 46.5 1.0
C6 B:FCR601 2.6 45.0 1.0
OH B:TYR187 3.0 38.0 1.0
C2 B:FCR601 3.5 45.2 1.0
CG2 B:THR459 3.7 38.4 1.0
OG1 B:THR457 3.9 49.9 1.0
C5 B:FCR601 4.0 43.9 1.0
CG1 B:ILE468 4.0 40.5 1.0
O4 B:FAD600 4.1 43.1 1.0
CZ B:TYR187 4.2 36.4 1.0
OD2 B:ASP170 4.3 55.7 1.0
CB B:ILE468 4.4 40.1 1.0
O B:HOH2126 4.5 42.8 1.0
C4 B:FAD600 4.6 42.7 1.0
CB B:THR457 4.6 45.8 1.0
C3 B:FCR601 4.6 44.1 1.0
CE1 B:TYR187 4.7 36.8 1.0
CG2 B:ILE468 4.7 40.6 1.0
C4 B:FCR601 4.8 43.8 1.0
N5 B:FAD600 4.8 44.0 1.0
C4X B:FAD600 5.0 43.3 1.0
CG B:ASP170 5.0 53.1 1.0

Fluorine binding site 6 out of 6 in 1e8g

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Fluorine binding site 6 out of 6 in the Structure of the H61T Double Mutant of Vanillyl-Alcohol Oxidase in Complex with Fluoro-Cresol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of the H61T Double Mutant of Vanillyl-Alcohol Oxidase in Complex with Fluoro-Cresol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:48.4
occ:1.00
 F3 B:FCR601 0.0 48.4 1.0
C7 B:FCR601 1.3 47.8 1.0
F1 B:FCR601 2.1 49.0 1.0
F2 B:FCR601 2.1 50.1 1.0
C1 B:FCR601 2.2 46.5 1.0
C2 B:FCR601 2.7 45.2 1.0
C6 B:FCR601 3.4 45.0 1.0
CG2 B:ILE468 3.6 40.6 1.0
OG1 B:THR457 3.8 49.9 1.0
CB B:ILE468 4.0 40.1 1.0
C3 B:FCR601 4.0 44.1 1.0
CG1 B:ILE468 4.2 40.5 1.0
N5 B:FAD600 4.4 44.0 1.0
OD2 B:ASP170 4.4 55.7 1.0
C5 B:FCR601 4.6 43.9 1.0
CE1 B:PHE424 4.6 40.2 1.0
C4 B:FCR601 4.8 43.8 1.0
C5X B:FAD600 4.8 43.6 1.0
OH B:TYR187 4.8 38.0 1.0
C6 B:FAD600 4.8 43.6 1.0
C4X B:FAD600 4.9 43.3 1.0
CZ B:PHE424 4.9 40.0 1.0
O4 B:FAD600 4.9 43.1 1.0
SG B:CYS470 5.0 43.7 1.0

Reference:

M.W.Fraaije, R.H.H.Van Der Heuvel, W.J.H.Van Berkel, A.Mattevi. Structural Analysis of Flavinylation in Vanillyl-Alcohol Oxidase J.Biol.Chem. V. 275 38654 2001.
ISSN: ISSN 0021-9258
PubMed: 10984479
DOI: 10.1074/JBC.M004753200
Page generated: Wed Jul 31 11:10:05 2024

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