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Fluorine in PDB 4mol: Pyranose 2-Oxidase H167A Mutant with 2-Fluorinated Galactose

Enzymatic activity of Pyranose 2-Oxidase H167A Mutant with 2-Fluorinated Galactose

All present enzymatic activity of Pyranose 2-Oxidase H167A Mutant with 2-Fluorinated Galactose:
1.1.3.10;

Protein crystallography data

The structure of Pyranose 2-Oxidase H167A Mutant with 2-Fluorinated Galactose, PDB code: 4mol 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) 48.01 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 100.291, 102.476, 137.423, 90.00, 91.02, 90.00
R / Rfree (%) 18.6 / 22.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pyranose 2-Oxidase H167A Mutant with 2-Fluorinated Galactose (pdb code 4mol). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Pyranose 2-Oxidase H167A Mutant with 2-Fluorinated Galactose, PDB code: 4mol:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 4mol

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Fluorine binding site 1 out of 4 in the Pyranose 2-Oxidase H167A Mutant with 2-Fluorinated Galactose


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 H167A Mutant with 2-Fluorinated Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F802

b:34.5
occ:1.00
F2 A:2FG802 0.0 34.5 1.0
C2 A:2FG802 1.4 32.5 1.0
C3 A:2FG802 2.4 31.3 1.0
C1 A:2FG802 2.4 31.9 1.0
O1 A:2FG802 2.7 29.5 1.0
O3 A:2FG802 2.7 34.0 1.0
ND2 A:ASN593 2.9 19.5 1.0
NE2 A:GLN448 3.0 24.1 1.0
OE1 A:GLN448 3.4 26.1 1.0
O4 A:FAD801 3.5 20.3 1.0
O5 A:2FG802 3.6 33.4 1.0
CD A:GLN448 3.6 24.2 1.0
C4 A:2FG802 3.7 32.6 1.0
CZ A:PHE474 3.8 25.1 1.0
C4 A:FAD801 4.0 20.8 1.0
O4 A:2FG802 4.1 35.1 1.0
C5 A:2FG802 4.2 33.2 1.0
CG A:ASN593 4.2 21.1 1.0
CE2 A:PHE474 4.2 23.6 1.0
CG2 A:THR169 4.2 28.7 1.0
CB A:THR169 4.2 26.1 1.0
N5 A:FAD801 4.3 20.2 1.0
C4X A:FAD801 4.4 19.8 1.0
CB A:ALA171 4.5 18.2 1.0
CE1 A:HIS548 4.7 23.1 1.0
OG1 A:THR169 4.7 28.7 1.0
CE1 A:PHE474 4.7 23.9 1.0
NE2 A:HIS548 4.8 23.6 1.0
OD2 A:ASP452 4.8 43.0 1.0
N3 A:FAD801 4.9 22.1 1.0
OD1 A:ASN593 4.9 22.5 1.0

Fluorine binding site 2 out of 4 in 4mol

Go back to Fluorine Binding Sites List in 4mol
Fluorine binding site 2 out of 4 in the Pyranose 2-Oxidase H167A Mutant with 2-Fluorinated Galactose


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 H167A Mutant with 2-Fluorinated Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F802

b:38.0
occ:1.00
F2 B:2FG802 0.0 38.0 1.0
C2 B:2FG802 1.4 34.8 1.0
C1 B:2FG802 2.3 32.7 1.0
C3 B:2FG802 2.3 33.7 1.0
O1 B:2FG802 2.6 34.6 1.0
O3 B:2FG802 2.7 34.3 1.0
ND2 B:ASN593 2.8 23.0 1.0
NE2 B:GLN448 2.9 30.1 1.0
OE1 B:GLN448 3.4 28.1 1.0
O5 B:2FG802 3.6 33.4 1.0
CD B:GLN448 3.6 27.4 1.0
O4 B:FAD801 3.6 20.4 1.0
C4 B:2FG802 3.7 34.2 1.0
CZ B:PHE474 3.8 24.7 1.0
C4 B:FAD801 3.9 19.9 1.0
C5 B:2FG802 4.1 39.9 1.0
O4 B:2FG802 4.1 36.0 1.0
CE2 B:PHE474 4.1 25.3 1.0
CG B:ASN593 4.1 23.8 1.0
N5 B:FAD801 4.2 24.5 1.0
CG2 B:THR169 4.2 31.3 1.0
CB B:THR169 4.3 29.0 1.0
C4X B:FAD801 4.4 21.1 1.0
CB B:ALA171 4.5 21.2 1.0
NE2 B:HIS548 4.6 23.7 1.0
CE1 B:HIS548 4.6 25.0 1.0
CE1 B:PHE474 4.8 24.3 1.0
OG1 B:THR169 4.8 38.0 1.0
N3 B:FAD801 4.8 19.6 1.0
OD2 B:ASP452 4.8 45.1 1.0
OD1 B:ASN593 4.9 24.4 1.0

Fluorine binding site 3 out of 4 in 4mol

Go back to Fluorine Binding Sites List in 4mol
Fluorine binding site 3 out of 4 in the Pyranose 2-Oxidase H167A Mutant with 2-Fluorinated Galactose


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Pyranose 2-Oxidase H167A Mutant with 2-Fluorinated Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F703

b:39.6
occ:1.00
F2 C:2FG703 0.0 39.6 1.0
C2 C:2FG703 1.3 38.0 1.0
C3 C:2FG703 2.3 37.9 1.0
C1 C:2FG703 2.3 36.0 1.0
O3 C:2FG703 2.6 41.8 1.0
O1 C:2FG703 2.7 38.2 1.0
NE2 C:GLN448 2.9 24.9 1.0
ND2 C:ASN593 3.0 26.2 1.0
OE1 C:GLN448 3.3 27.7 1.0
CD C:GLN448 3.5 27.3 1.0
O5 C:2FG703 3.6 36.8 1.0
C4 C:2FG703 3.6 40.5 1.0
CZ C:PHE474 3.6 28.1 1.0
O4 C:FAD702 3.7 25.2 1.0
O4 C:2FG703 4.1 42.8 1.0
C5 C:2FG703 4.1 43.7 1.0
CE2 C:PHE474 4.1 29.9 1.0
C4 C:FAD702 4.3 23.1 1.0
CG C:ASN593 4.4 27.6 1.0
CB C:THR169 4.4 33.9 1.0
CG2 C:THR169 4.4 36.5 1.0
N5 C:FAD702 4.4 25.8 1.0
C4X C:FAD702 4.6 26.1 1.0
CE1 C:PHE474 4.6 27.3 1.0
CB C:ALA171 4.6 26.0 1.0
CE1 C:HIS548 4.8 28.0 1.0
OG1 C:THR169 4.8 34.3 1.0
NE2 C:HIS548 4.8 31.8 1.0
CG C:GLN448 4.9 25.7 1.0
N3 C:FAD702 4.9 24.2 1.0
OD2 C:ASP452 5.0 57.3 1.0

Fluorine binding site 4 out of 4 in 4mol

Go back to Fluorine Binding Sites List in 4mol
Fluorine binding site 4 out of 4 in the Pyranose 2-Oxidase H167A Mutant with 2-Fluorinated Galactose


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Pyranose 2-Oxidase H167A Mutant with 2-Fluorinated Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F802

b:38.5
occ:1.00
F2 D:2FG802 0.0 38.5 1.0
C2 D:2FG802 1.4 40.0 1.0
C1 D:2FG802 2.3 39.0 1.0
C3 D:2FG802 2.4 40.2 1.0
O1 D:2FG802 2.6 38.3 1.0
O3 D:2FG802 2.8 42.0 1.0
ND2 D:ASN593 2.8 29.5 1.0
NE2 D:GLN448 2.9 32.6 1.0
OE1 D:GLN448 3.3 33.8 1.0
CD D:GLN448 3.5 33.8 1.0
O5 D:2FG802 3.6 40.7 1.0
CZ D:PHE474 3.7 32.0 1.0
O4 D:FAD801 3.7 36.3 1.0
C4 D:2FG802 3.7 40.8 1.0
CE2 D:PHE474 3.9 33.4 1.0
C4 D:FAD801 4.0 30.7 1.0
C5 D:2FG802 4.1 40.9 1.0
O4 D:2FG802 4.1 42.2 1.0
CG D:ASN593 4.2 33.8 1.0
CG2 D:THR169 4.3 34.6 1.0
C4X D:FAD801 4.3 34.7 1.0
CB D:THR169 4.4 33.4 1.0
N5 D:FAD801 4.4 30.4 1.0
CB D:ALA171 4.5 27.7 1.0
CE1 D:HIS548 4.6 31.0 1.0
NE2 D:HIS548 4.7 32.4 1.0
CE1 D:PHE474 4.7 32.4 1.0
N3 D:FAD801 4.8 31.9 1.0
OG1 D:THR169 4.9 38.6 1.0
OD1 D:ASN593 4.9 33.2 1.0
CG D:GLN448 5.0 33.0 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: Thu Aug 1 03:59:28 2024

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