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Fluorine in PDB 4moi: Pyranose 2-Oxidase H450G/V546C Double Mutant with 3-Fluorinated Glucose

Enzymatic activity of Pyranose 2-Oxidase H450G/V546C Double Mutant with 3-Fluorinated Glucose

All present enzymatic activity of Pyranose 2-Oxidase H450G/V546C Double Mutant with 3-Fluorinated Glucose:
1.1.3.10;

Protein crystallography data

The structure of Pyranose 2-Oxidase H450G/V546C Double Mutant with 3-Fluorinated Glucose, PDB code: 4moi was solved by T.C.Tan, O.Spadiut, R.Gandini, D.Haltrich, C.Divne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.88 / 1.90
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 101.504, 101.504, 238.672, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 24.5

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pyranose 2-Oxidase H450G/V546C Double Mutant with 3-Fluorinated Glucose (pdb code 4moi). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Pyranose 2-Oxidase H450G/V546C Double Mutant with 3-Fluorinated Glucose, PDB code: 4moi:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 4moi

Go back to Fluorine Binding Sites List in 4moi
Fluorine binding site 1 out of 2 in the Pyranose 2-Oxidase H450G/V546C Double Mutant with 3-Fluorinated Glucose


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pyranose 2-Oxidase H450G/V546C Double Mutant with 3-Fluorinated Glucose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F802

b:27.1
occ:1.00
F3 A:G3F802 0.0 27.1 1.0
C3 A:G3F802 1.3 26.3 1.0
C4 A:G3F802 2.3 25.1 1.0
C2 A:G3F802 2.4 22.6 1.0
O4 A:G3F802 2.6 25.9 1.0
NE2 A:GLN448 2.7 19.6 1.0
O2 A:G3F802 2.9 24.4 1.0
CB A:THR169 3.4 21.3 1.0
O4 A:FDA801 3.5 16.9 1.0
CG2 A:THR169 3.5 21.2 1.0
ND2 A:ASN593 3.5 20.2 1.0
CD A:GLN448 3.6 19.2 1.0
C1 A:G3F802 3.7 22.1 1.0
C5 A:G3F802 3.7 25.3 1.0
OE1 A:GLN448 3.7 21.5 1.0
OD2 A:ASP452 3.7 26.2 1.0
C4 A:FDA801 3.7 18.6 1.0
N5 A:FDA801 3.8 18.6 1.0
OG1 A:THR169 3.8 23.8 1.0
O5 A:G3F802 4.1 22.4 1.0
C4X A:FDA801 4.2 19.3 1.0
O A:HOH1135 4.5 26.7 1.0
CZ A:PHE474 4.5 19.7 1.0
CB A:ALA171 4.5 18.9 1.0
C5X A:FDA801 4.6 18.6 1.0
O1 A:G3F802 4.7 23.8 1.0
CA A:THR169 4.7 20.7 1.0
CG A:ASN593 4.8 21.0 1.0
N3 A:FDA801 4.8 16.5 1.0
C6 A:G3F802 4.9 27.8 1.0
C6 A:FDA801 4.9 17.8 1.0
CG A:ASP452 5.0 24.5 1.0

Fluorine binding site 2 out of 2 in 4moi

Go back to Fluorine Binding Sites List in 4moi
Fluorine binding site 2 out of 2 in the Pyranose 2-Oxidase H450G/V546C Double Mutant with 3-Fluorinated Glucose


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pyranose 2-Oxidase H450G/V546C Double Mutant with 3-Fluorinated Glucose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F802

b:28.2
occ:1.00
F3 B:G3F802 0.0 28.2 1.0
C3 B:G3F802 1.4 28.0 1.0
C4 B:G3F802 2.3 25.9 1.0
C2 B:G3F802 2.3 24.6 1.0
O4 B:G3F802 2.7 27.8 1.0
O2 B:G3F802 2.9 25.3 1.0
NE2 B:GLN448 3.0 27.2 1.0
O4 B:FDA801 3.3 15.7 1.0
ND2 B:ASN593 3.3 17.2 1.0
CB B:THR169 3.5 19.4 1.0
OE1 B:GLN448 3.6 25.5 1.0
C5 B:G3F802 3.7 24.2 1.0
CD B:GLN448 3.7 25.1 1.0
CG2 B:THR169 3.7 18.4 1.0
C4 B:FDA801 3.7 16.3 1.0
C1 B:G3F802 3.7 23.9 1.0
N5 B:FDA801 3.9 19.9 1.0
OD2 B:ASP452 3.9 25.9 1.0
OG1 B:THR169 3.9 18.7 1.0
C4X B:FDA801 4.0 18.9 1.0
O5 B:G3F802 4.2 26.1 1.0
CB B:ALA171 4.3 18.6 1.0
O B:HOH997 4.4 24.0 1.0
CZ B:PHE474 4.6 19.3 1.0
CG B:ASN593 4.7 18.6 1.0
C5X B:FDA801 4.7 18.3 1.0
N3 B:FDA801 4.7 17.6 1.0
O1 B:G3F802 4.7 22.7 1.0
C6 B:G3F802 4.8 27.4 1.0
CA B:THR169 4.8 18.6 1.0
C6 B:FDA801 4.9 16.7 1.0

Reference:

T.C.Tan, O.Spadiut, R.Gandini, D.Haltrich, C.Divne. Structural Basis For Binding of Fluorinated Glucose and Galactose to Trametes Multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion. Plos One V. 9 86736 2014.
ISSN: ESSN 1932-6203
PubMed: 24466218
DOI: 10.1371/JOURNAL.PONE.0086736
Page generated: Sun Dec 13 12:08:19 2020

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