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Fluorine in PDB 4mih: Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant H158A Mutant

Enzymatic activity of Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant H158A Mutant

All present enzymatic activity of Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant H158A Mutant:
1.1.3.10;

Protein crystallography data

The structure of Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant H158A Mutant, PDB code: 4mih was solved by N.Hassan, T.C.Tan, O.Spadiut, I.Pisanelli, L.Fusco, D.Haltrich, C.Peterbauer, C.Divne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.56 / 2.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 110.100, 167.099, 168.472, 90.00, 93.98, 90.00
R / Rfree (%) 20.5 / 26.5

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant H158A Mutant (pdb code 4mih). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant H158A Mutant, PDB code: 4mih:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 4mih

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Fluorine binding site 1 out of 8 in the Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant H158A Mutant


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 From Phanerochaete Chrysosporium, Recombinant H158A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F802

b:8.2
occ:1.00
 F3 A:G3F802 0.0 8.2 1.0
C3 A:G3F802 1.3 10.1 1.0
C2 A:G3F802 2.3 12.2 1.0
C4 A:G3F802 2.4 19.1 1.0
O2 A:G3F802 2.6 15.3 1.0
O4 A:G3F802 2.8 26.6 1.0
O4 A:FAD801 3.2 10.7 1.0
ND2 A:ASN596 3.3 20.1 1.0
NE2 A:GLN454 3.4 29.9 1.0
OE1 A:GLN454 3.4 18.0 1.0
C1 A:G3F802 3.6 16.3 1.0
C5 A:G3F802 3.6 22.3 1.0
CD A:GLN454 3.8 21.4 1.0
C4 A:FAD801 3.8 4.3 1.0
CB A:THR160 3.9 11.7 1.0
CG2 A:THR160 3.9 24.6 1.0
O5 A:G3F802 3.9 22.2 1.0
N5 A:FAD801 4.0 10.0 1.0
OD2 A:ASP458 4.1 28.2 1.0
C4X A:FAD801 4.2 2.0 1.0
OG1 A:THR160 4.3 25.3 1.0
CB A:ALA162 4.5 13.4 1.0
CZ A:PHE480 4.5 10.4 1.0
O1 A:G3F802 4.6 18.4 1.0
CG A:ASN596 4.6 19.7 1.0
N3 A:FAD801 4.7 4.6 1.0
C6 A:G3F802 4.9 14.8 1.0
C5X A:FAD801 5.0 12.7 1.0

Fluorine binding site 2 out of 8 in 4mih

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Fluorine binding site 2 out of 8 in the Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant H158A Mutant


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 From Phanerochaete Chrysosporium, Recombinant H158A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F802

b:25.1
occ:1.00
 F3 B:G3F802 0.0 25.1 1.0
C3 B:G3F802 1.3 27.0 1.0
C2 B:G3F802 2.3 23.2 1.0
C4 B:G3F802 2.4 22.0 1.0
O2 B:G3F802 2.7 24.7 1.0
O4 B:G3F802 2.9 18.8 1.0
NE2 B:GLN454 3.2 32.2 1.0
O4 B:FAD801 3.3 20.4 1.0
ND2 B:ASN596 3.4 24.3 1.0
CB B:THR160 3.4 16.9 1.0
CG2 B:THR160 3.4 17.8 1.0
C1 B:G3F802 3.6 26.8 1.0
C5 B:G3F802 3.7 19.3 1.0
OG1 B:THR160 3.7 31.0 1.0
OE1 B:GLN454 3.7 33.5 1.0
CD B:GLN454 3.9 32.3 1.0
C4 B:FAD801 3.9 12.8 1.0
O5 B:G3F802 4.0 24.6 1.0
N5 B:FAD801 4.0 19.1 1.0
OD2 B:ASP458 4.2 34.6 1.0
C4X B:FAD801 4.2 16.6 1.0
O1 B:G3F802 4.5 35.5 1.0
CB B:ALA162 4.6 26.5 1.0
CZ B:PHE480 4.6 12.3 1.0
CG B:ASN596 4.7 25.2 1.0
C6 B:G3F802 4.8 24.1 1.0
N3 B:FAD801 4.8 25.1 1.0
CA B:THR160 4.9 20.1 1.0

Fluorine binding site 3 out of 8 in 4mih

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Fluorine binding site 3 out of 8 in the Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant H158A Mutant


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 From Phanerochaete Chrysosporium, Recombinant H158A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F802

b:36.9
occ:1.00
 F3 C:G3F802 0.0 36.9 1.0
C3 C:G3F802 1.3 39.5 1.0
C2 C:G3F802 2.3 36.0 1.0
C4 C:G3F802 2.4 33.0 1.0
O2 C:G3F802 2.7 25.5 1.0
O4 C:G3F802 2.9 24.1 1.0
ND2 C:ASN596 3.2 28.1 1.0
O4 C:FAD801 3.2 23.5 1.0
OE1 C:GLN454 3.2 25.0 1.0
CG2 C:THR160 3.3 30.2 1.0
NE2 C:GLN454 3.5 35.4 1.0
C1 C:G3F802 3.6 37.0 1.0
C5 C:G3F802 3.6 31.4 1.0
C4 C:FAD801 3.7 22.6 1.0
CD C:GLN454 3.8 35.5 1.0
CB C:THR160 3.8 44.4 1.0
O5 C:G3F802 4.0 33.1 1.0
N5 C:FAD801 4.1 20.3 1.0
C4X C:FAD801 4.1 20.1 1.0
CB C:ALA162 4.4 40.5 1.0
CG C:ASN596 4.4 35.1 1.0
N3 C:FAD801 4.5 23.2 1.0
OG1 C:THR160 4.5 36.1 1.0
OD2 C:ASP458 4.6 23.4 1.0
CZ C:PHE480 4.6 22.7 1.0
O1 C:G3F802 4.7 40.0 1.0
C6 C:G3F802 4.8 27.0 1.0
CB C:ASN596 4.9 28.1 1.0

Fluorine binding site 4 out of 8 in 4mih

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Fluorine binding site 4 out of 8 in the Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant H158A Mutant


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 From Phanerochaete Chrysosporium, Recombinant H158A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F802

b:43.3
occ:1.00
 F3 D:G3F802 0.0 43.3 1.0
C3 D:G3F802 1.3 46.8 1.0
C4 D:G3F802 2.3 40.5 1.0
C2 D:G3F802 2.3 41.7 1.0
O4 D:G3F802 2.7 37.9 1.0
O2 D:G3F802 2.8 32.9 1.0
OE1 D:GLN454 3.0 33.2 1.0
NE2 D:GLN454 3.1 40.4 1.0
ND2 D:ASN596 3.1 29.8 1.0
CG2 D:THR160 3.3 37.4 1.0
CD D:GLN454 3.4 36.8 1.0
C5 D:G3F802 3.6 29.0 1.0
C1 D:G3F802 3.6 37.4 1.0
O4 D:FAD801 3.7 34.2 1.0
O5 D:G3F802 4.0 30.3 1.0
CZ D:PHE480 4.1 27.7 1.0
C4 D:FAD801 4.3 37.7 1.0
CG D:ASN596 4.5 30.8 1.0
OD2 D:ASP458 4.5 40.6 1.0
N5 D:FAD801 4.5 35.5 1.0
CE1 D:PHE480 4.6 28.6 1.0
CB D:ALA162 4.6 38.3 1.0
CB D:THR160 4.7 37.2 1.0
C4X D:FAD801 4.7 32.9 1.0
O1 D:G3F802 4.7 35.5 1.0
C6 D:G3F802 4.7 25.8 1.0
CG D:GLN454 4.8 35.8 1.0
CE2 D:PHE480 4.8 25.0 1.0
NE2 D:HIS456 5.0 35.2 1.0

Fluorine binding site 5 out of 8 in 4mih

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Fluorine binding site 5 out of 8 in the Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant H158A Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant H158A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F802

b:17.0
occ:1.00
 F3 E:G3F802 0.0 17.0 1.0
C3 E:G3F802 1.3 20.5 1.0
C2 E:G3F802 2.3 20.0 1.0
C4 E:G3F802 2.3 19.4 1.0
O2 E:G3F802 2.7 20.0 1.0
O4 E:G3F802 2.8 16.0 1.0
NE2 E:GLN454 3.1 19.3 1.0
ND2 E:ASN596 3.2 12.7 1.0
O4 E:FAD801 3.3 19.5 1.0
OE1 E:GLN454 3.4 20.2 1.0
C1 E:G3F802 3.6 24.8 1.0
C5 E:G3F802 3.6 18.9 1.0
CD E:GLN454 3.7 17.0 1.0
C4 E:FAD801 3.9 14.0 1.0
CB E:THR160 3.9 30.8 1.0
O5 E:G3F802 4.0 20.2 1.0
OG1 E:THR160 4.0 30.5 1.0
CB E:ALA162 4.1 21.1 1.0
N5 E:FAD801 4.1 24.9 1.0
OD2 E:ASP458 4.2 18.2 1.0
C4X E:FAD801 4.3 16.2 1.0
CG2 E:THR160 4.3 37.2 1.0
CG E:ASN596 4.4 15.7 1.0
CZ E:PHE480 4.6 14.6 1.0
O1 E:G3F802 4.6 35.4 1.0
N3 E:FAD801 4.7 18.4 1.0
C6 E:G3F802 4.8 18.4 1.0

Fluorine binding site 6 out of 8 in 4mih

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Fluorine binding site 6 out of 8 in the Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant H158A Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant H158A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F802

b:41.1
occ:1.00
 F3 F:G3F802 0.0 41.1 1.0
C3 F:G3F802 1.3 41.2 1.0
C2 F:G3F802 2.3 38.2 1.0
C4 F:G3F802 2.3 33.2 1.0
O2 F:G3F802 2.8 34.6 1.0
O4 F:G3F802 3.0 23.4 1.0
O4 F:FAD801 3.0 27.6 1.0
ND2 F:ASN596 3.4 30.3 1.0
CB F:THR160 3.5 25.1 1.0
NE2 F:GLN454 3.6 27.5 1.0
CG2 F:THR160 3.6 20.3 1.0
C1 F:G3F802 3.6 33.3 1.0
C5 F:G3F802 3.6 35.5 1.0
C4 F:FAD801 3.6 25.3 1.0
OG1 F:THR160 3.8 19.8 1.0
N5 F:FAD801 3.9 30.0 1.0
O5 F:G3F802 3.9 36.8 1.0
C4X F:FAD801 4.0 27.1 1.0
OD2 F:ASP458 4.1 37.4 1.0
OE1 F:GLN454 4.2 30.1 1.0
CD F:GLN454 4.3 27.6 1.0
CB F:ALA162 4.4 22.1 1.0
N3 F:FAD801 4.5 25.3 1.0
O1 F:G3F802 4.7 27.2 1.0
CG F:ASN596 4.7 27.0 1.0
C6 F:G3F802 4.7 36.0 1.0
CZ F:PHE480 4.8 18.0 1.0
CA F:THR160 4.8 24.6 1.0
C5X F:FAD801 4.9 25.6 1.0

Fluorine binding site 7 out of 8 in 4mih

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Fluorine binding site 7 out of 8 in the Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant H158A Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant H158A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
G:F802

b:30.1
occ:1.00
 F3 G:G3F802 0.0 30.1 1.0
C3 G:G3F802 1.3 34.1 1.0
C2 G:G3F802 2.3 35.8 1.0
C4 G:G3F802 2.3 35.3 1.0
O2 G:G3F802 2.7 35.5 1.0
O4 G:G3F802 2.7 40.8 1.0
NE2 G:GLN454 3.3 33.5 1.0
ND2 G:ASN596 3.3 29.0 1.0
O4 G:FAD801 3.4 33.0 1.0
CG2 G:THR160 3.4 27.1 1.0
OE1 G:GLN454 3.5 27.3 1.0
C1 G:G3F802 3.6 33.5 1.0
C5 G:G3F802 3.6 32.2 1.0
CB G:THR160 3.8 19.0 1.0
CD G:GLN454 3.8 33.3 1.0
OD2 G:ASP458 3.8 31.0 1.0
O5 G:G3F802 4.0 32.2 1.0
C4 G:FAD801 4.0 27.2 1.0
OG1 G:THR160 4.2 34.6 1.0
N5 G:FAD801 4.2 29.0 1.0
C4X G:FAD801 4.4 31.1 1.0
CZ G:PHE480 4.5 18.0 1.0
CB G:ALA162 4.5 20.2 1.0
O1 G:G3F802 4.5 37.2 1.0
CG G:ASN596 4.6 24.2 1.0
C6 G:G3F802 4.8 33.1 1.0
N3 G:FAD801 4.9 23.4 1.0
CG G:ASP458 5.0 29.3 1.0

Fluorine binding site 8 out of 8 in 4mih

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Fluorine binding site 8 out of 8 in the Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant H158A Mutant


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant H158A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
H:F802

b:31.1
occ:1.00
 F3 H:G3F802 0.0 31.1 1.0
C3 H:G3F802 1.3 31.2 1.0
C2 H:G3F802 2.3 31.9 1.0
C4 H:G3F802 2.3 27.5 1.0
O4 H:G3F802 2.8 24.0 1.0
O2 H:G3F802 2.8 32.2 1.0
ND2 H:ASN596 3.1 37.9 1.0
O4 H:FAD801 3.2 35.9 1.0
OE1 H:GLN454 3.2 34.3 1.0
NE2 H:GLN454 3.3 43.0 1.0
C1 H:G3F802 3.6 29.3 1.0
C5 H:G3F802 3.6 32.1 1.0
CD H:GLN454 3.7 36.8 1.0
CB H:THR160 3.7 29.4 1.0
C4 H:FAD801 3.8 31.0 1.0
CG2 H:THR160 3.8 31.9 1.0
O5 H:G3F802 4.0 27.9 1.0
OD2 H:ASP458 4.1 36.9 1.0
N5 H:FAD801 4.1 24.1 1.0
OG1 H:THR160 4.1 32.7 1.0
C4X H:FAD801 4.2 22.6 1.0
CG H:ASN596 4.4 41.2 1.0
CB H:ALA162 4.4 36.7 1.0
CZ H:PHE480 4.6 31.8 1.0
O1 H:G3F802 4.6 24.4 1.0
N3 H:FAD801 4.6 29.7 1.0
C6 H:G3F802 4.8 35.6 1.0

Reference:

N.Hassan, T.C.Tan, O.Spadiut, I.Pisanelli, L.Fusco, D.Haltrich, C.K.Peterbauer, C.Divne. Crystal Structures of Phanerochaete Chrysosporium Pyranose 2-Oxidase Suggest That the N-Terminus Acts As A Propeptide That Assists in Homotetramer Assembly. Febs Open Bio V. 3 496 2013.
ISSN: ESSN 2211-5463
PubMed: 24282677
DOI: 10.1016/J.FOB.2013.10.010
Page generated: Thu Aug 1 03:44:48 2024

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