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Fluorine in PDB 4mig: Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant Wild Type

Enzymatic activity of Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant Wild Type

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

Protein crystallography data

The structure of Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant Wild Type, PDB code: 4mig 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) 44.05 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 89.544, 166.448, 91.844, 90.00, 106.41, 90.00
R / Rfree (%) 17.3 / 21.4

Other elements in 4mig:

The structure of Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant Wild Type also contains other interesting chemical elements:

Manganese (Mn) 8 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant Wild Type (pdb code 4mig). 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 From Phanerochaete Chrysosporium, Recombinant Wild Type, PDB code: 4mig:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 4mig

Go back to Fluorine Binding Sites List in 4mig
Fluorine binding site 1 out of 4 in the Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant Wild Type


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 Wild Type within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F802

b:27.4
occ:1.00
 F3 A:G3F802 0.0 27.4 1.0
C3 A:G3F802 1.4 32.0 1.0
C4 A:G3F802 2.4 33.6 1.0
C2 A:G3F802 2.5 28.9 1.0
OG1 A:THR160 2.7 12.1 0.4
O4 A:G3F802 2.7 33.2 1.0
O2 A:G3F802 3.0 29.6 1.0
NE2 A:GLN454 3.0 15.6 1.0
O4 A:FDA801 3.3 14.0 1.0
ND2 A:ASN596 3.3 16.8 1.0
CB A:THR160 3.5 11.4 0.6
OE1 A:GLN454 3.7 16.1 1.0
CG2 A:THR160 3.7 11.9 0.6
CB A:THR160 3.7 11.5 0.4
CD A:GLN454 3.8 15.4 1.0
C5 A:G3F802 3.8 34.2 1.0
OG1 A:THR160 3.9 12.1 0.6
C1 A:G3F802 3.9 31.0 1.0
C4 A:FDA801 3.9 15.5 1.0
N5 A:FDA801 4.0 15.7 1.0
OD2 A:ASP458 4.2 36.9 1.0
C4X A:FDA801 4.2 15.4 1.0
O5 A:G3F802 4.2 33.7 1.0
CB A:ALA162 4.4 10.8 1.0
CG2 A:THR160 4.6 12.1 0.4
CZ A:PHE480 4.6 13.1 1.0
CG A:ASN596 4.6 16.4 1.0
CE1 A:HIS456 4.9 19.6 1.0
N3 A:FDA801 4.9 12.2 1.0
CA A:THR160 4.9 11.1 0.6
O1 A:G3F802 4.9 31.0 1.0
CA A:THR160 5.0 11.1 0.4
C6 A:G3F802 5.0 30.8 1.0
C5X A:FDA801 5.0 15.4 1.0

Fluorine binding site 2 out of 4 in 4mig

Go back to Fluorine Binding Sites List in 4mig
Fluorine binding site 2 out of 4 in the Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant Wild Type


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 Wild Type within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F802

b:29.6
occ:1.00
 F3 B:G3F802 0.0 29.6 1.0
C3 B:G3F802 1.4 32.5 1.0
C4 B:G3F802 2.4 32.8 1.0
C2 B:G3F802 2.4 32.3 1.0
O2 B:G3F802 2.8 29.6 1.0
O4 B:G3F802 2.8 32.3 1.0
NE2 B:GLN454 3.0 15.7 1.0
ND2 B:ASN596 3.0 17.8 1.0
OG1 B:THR160 3.0 12.6 0.4
O4 B:FDA801 3.3 13.0 1.0
OE1 B:GLN454 3.5 17.6 1.0
CD B:GLN454 3.7 16.2 1.0
C5 B:G3F802 3.7 34.4 1.0
C1 B:G3F802 3.8 34.9 1.0
C4 B:FDA801 3.9 16.2 1.0
N5 B:FDA801 4.0 14.7 1.0
CB B:THR160 4.0 11.6 0.6
C4X B:FDA801 4.2 17.7 1.0
O5 B:G3F802 4.2 38.1 1.0
CG2 B:THR160 4.2 11.6 0.6
CB B:THR160 4.2 11.5 0.4
CZ B:PHE480 4.3 15.3 1.0
OG1 B:THR160 4.3 12.1 0.6
CG B:ASN596 4.4 16.4 1.0
OD2 B:ASP458 4.4 30.7 1.0
CB B:ALA162 4.4 14.3 1.0
N3 B:FDA801 4.6 16.1 1.0
CE1 B:PHE480 4.8 16.4 1.0
O1 B:G3F802 4.9 32.2 1.0
C6 B:G3F802 4.9 32.7 1.0
C5X B:FDA801 4.9 15.0 1.0

Fluorine binding site 3 out of 4 in 4mig

Go back to Fluorine Binding Sites List in 4mig
Fluorine binding site 3 out of 4 in the Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant Wild Type


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 Wild Type within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F802

b:28.0
occ:1.00
 F3 C:G3F802 0.0 28.0 1.0
C3 C:G3F802 1.4 30.9 1.0
C4 C:G3F802 2.5 30.6 1.0
C2 C:G3F802 2.5 28.1 1.0
O2 C:G3F802 2.8 28.3 1.0
NE2 C:GLN454 2.8 16.3 1.0
O4 C:G3F802 2.8 27.7 1.0
OG1 C:THR160 2.9 13.2 0.5
ND2 C:ASN596 3.2 18.0 1.0
OE1 C:GLN454 3.3 18.4 1.0
O4 C:FDA801 3.4 15.7 1.0
CD C:GLN454 3.5 16.0 1.0
CB C:THR160 3.6 11.8 0.5
CG2 C:THR160 3.8 12.4 0.5
OG1 C:THR160 3.8 12.4 0.5
C5 C:G3F802 3.8 32.2 1.0
C1 C:G3F802 3.9 31.5 1.0
CB C:THR160 3.9 11.7 0.5
C4 C:FDA801 3.9 14.9 1.0
N5 C:FDA801 4.1 15.2 1.0
CB C:ALA162 4.2 12.3 1.0
OD2 C:ASP458 4.2 32.4 1.0
C4X C:FDA801 4.3 17.4 1.0
O5 C:G3F802 4.3 32.4 1.0
CZ C:PHE480 4.5 14.1 1.0
CG C:ASN596 4.5 17.8 1.0
CG2 C:THR160 4.5 11.8 0.5
CE1 C:HIS456 4.8 17.5 1.0
N3 C:FDA801 4.8 15.1 1.0
CE1 C:PHE480 4.9 15.6 1.0
O1 C:G3F802 4.9 26.4 1.0
CG C:GLN454 5.0 15.1 1.0

Fluorine binding site 4 out of 4 in 4mig

Go back to Fluorine Binding Sites List in 4mig
Fluorine binding site 4 out of 4 in the Pyranose 2-Oxidase From Phanerochaete Chrysosporium, Recombinant Wild Type


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 Wild Type within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F802

b:31.9
occ:1.00
 F3 D:G3F802 0.0 31.9 1.0
C3 D:G3F802 1.4 30.5 1.0
C2 D:G3F802 2.5 26.1 1.0
C4 D:G3F802 2.5 32.4 1.0
OG1 D:THR160 2.8 10.8 0.4
O2 D:G3F802 2.8 23.1 1.0
O4 D:G3F802 2.9 33.5 1.0
NE2 D:GLN454 3.1 16.6 1.0
O4 D:FDA801 3.1 14.3 1.0
ND2 D:ASN596 3.3 12.9 1.0
OE1 D:GLN454 3.5 18.1 1.0
CB D:THR160 3.6 10.9 0.6
CD D:GLN454 3.7 15.8 1.0
CG2 D:THR160 3.8 11.4 0.6
C5 D:G3F802 3.8 31.7 1.0
CB D:THR160 3.9 10.6 0.4
C1 D:G3F802 3.9 28.9 1.0
OG1 D:THR160 3.9 11.2 0.6
C4 D:FDA801 3.9 16.0 1.0
N5 D:FDA801 4.0 12.8 1.0
C4X D:FDA801 4.2 15.4 1.0
OD2 D:ASP458 4.2 33.7 1.0
O5 D:G3F802 4.2 33.3 1.0
CB D:ALA162 4.3 10.1 1.0
CG D:ASN596 4.5 12.4 1.0
CZ D:PHE480 4.7 12.0 1.0
N3 D:FDA801 4.7 11.8 1.0
CG2 D:THR160 4.7 11.0 0.4
CE1 D:HIS456 4.8 18.3 1.0
O1 D:G3F802 4.9 29.0 1.0
C6 D:G3F802 4.9 32.6 1.0
CA D:THR160 5.0 10.3 0.6

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: Sun Dec 13 12:08:02 2020

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