Fluorine in PDB 7ca0: Crystal Structure of Dihydroorotase in Complex with 5-Fluoroorotic Acid From Saccharomyces Cerevisiae

Enzymatic activity of Crystal Structure of Dihydroorotase in Complex with 5-Fluoroorotic Acid From Saccharomyces Cerevisiae

All present enzymatic activity of Crystal Structure of Dihydroorotase in Complex with 5-Fluoroorotic Acid From Saccharomyces Cerevisiae:
3.5.2.3;

Protein crystallography data

The structure of Crystal Structure of Dihydroorotase in Complex with 5-Fluoroorotic Acid From Saccharomyces Cerevisiae, PDB code: 7ca0 was solved by H.H.Guan, Y.H.Huang, C.Y.Huang, C.J.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.57 / 2.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 85.471, 88.587, 103.572, 90, 95.28, 90
R / Rfree (%) 21 / 26.7

Other elements in 7ca0:

The structure of Crystal Structure of Dihydroorotase in Complex with 5-Fluoroorotic Acid From Saccharomyces Cerevisiae also contains other interesting chemical elements:

Zinc (Zn) 8 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Dihydroorotase in Complex with 5-Fluoroorotic Acid From Saccharomyces Cerevisiae (pdb code 7ca0). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Dihydroorotase in Complex with 5-Fluoroorotic Acid From Saccharomyces Cerevisiae, PDB code: 7ca0:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 7ca0

Go back to Fluorine Binding Sites List in 7ca0
Fluorine binding site 1 out of 4 in the Crystal Structure of Dihydroorotase in Complex with 5-Fluoroorotic Acid From Saccharomyces Cerevisiae


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Dihydroorotase in Complex with 5-Fluoroorotic Acid From Saccharomyces Cerevisiae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:68.5
occ:0.69
 F5 A:FOT501 0.0 68.5 0.7
C5 A:FOT501 1.4 59.1 0.7
C6 A:FOT501 2.5 57.8 0.7
C4 A:FOT501 2.5 54.6 0.7
O6 A:FOT501 2.7 64.9 0.7
C41 A:FOT501 2.9 56.8 0.7
OD2 A:ASP258 3.2 54.6 1.0
O42 A:FOT501 3.3 63.1 0.7
O A:LYS230 3.4 53.0 1.0
O41 A:FOT501 3.5 59.8 0.7
N3 A:FOT501 3.8 59.5 0.7
N1 A:FOT501 3.8 50.3 0.7
OG1 A:THR105 3.9 53.7 1.0
OD1 A:ASP258 4.0 53.6 1.0
O A:HOH618 4.0 47.0 1.0
CG A:ASP258 4.0 57.3 1.0
N A:LYS230 4.0 42.0 1.0
O A:HOH608 4.3 50.2 1.0
C2 A:FOT501 4.3 53.3 0.7
O A:ALA275 4.3 52.0 1.0
C A:LYS230 4.4 45.7 1.0
ZN A:ZN502 4.4 63.2 1.0
ZN A:ZN503 4.5 63.1 1.0
CB A:LYS230 4.5 47.3 1.0
CA A:LYS230 4.5 46.0 1.0
CA A:GLY276 4.6 42.5 1.0
C A:ALA275 4.8 53.0 1.0
CB A:CYS229 4.9 44.1 1.0
CB A:ALA260 4.9 48.7 1.0

Fluorine binding site 2 out of 4 in 7ca0

Go back to Fluorine Binding Sites List in 7ca0
Fluorine binding site 2 out of 4 in the Crystal Structure of Dihydroorotase in Complex with 5-Fluoroorotic Acid From Saccharomyces Cerevisiae


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Dihydroorotase in Complex with 5-Fluoroorotic Acid From Saccharomyces Cerevisiae within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F401

b:49.3
occ:0.76
 F5 C:FOT401 0.0 49.3 0.8
C5 C:FOT401 1.4 46.1 0.8
C6 C:FOT401 2.5 52.2 0.8
C4 C:FOT401 2.5 47.3 0.8
O6 C:FOT401 2.8 55.6 0.8
C41 C:FOT401 3.0 48.9 0.8
O41 C:FOT401 3.2 49.7 0.8
OG1 C:THR105 3.3 60.4 1.0
O42 C:FOT401 3.8 46.6 0.8
N C:GLY276 3.8 40.4 1.0
N1 C:FOT401 3.8 41.2 0.8
N3 C:FOT401 3.8 55.9 0.8
N C:LYS230 3.8 46.9 1.0
CA C:GLY276 3.8 40.0 1.0
CB C:ALA275 3.9 39.9 1.0
O C:LYS230 4.0 45.5 1.0
C C:ALA275 4.0 46.3 1.0
OD2 C:ASP258 4.1 46.9 1.0
CB C:LYS230 4.2 45.1 1.0
C2 C:FOT401 4.3 48.3 0.8
O C:ALA275 4.4 56.6 1.0
CA C:LYS230 4.4 40.3 1.0
CB C:ALA260 4.6 38.8 1.0
O C:HOH509 4.6 37.6 1.0
OG1 C:THR106 4.6 53.7 1.0
CA C:ALA275 4.6 45.7 1.0
CB C:THR105 4.6 59.1 1.0
C C:LYS230 4.7 43.6 1.0
C C:CYS229 4.7 42.6 1.0
CA C:CYS229 4.7 41.3 1.0
OD1 C:ASP258 4.8 48.2 1.0
CB C:CYS229 4.9 31.3 1.0
CG C:ASP258 4.9 43.8 1.0
O C:HOH519 5.0 39.7 1.0

Fluorine binding site 3 out of 4 in 7ca0

Go back to Fluorine Binding Sites List in 7ca0
Fluorine binding site 3 out of 4 in the Crystal Structure of Dihydroorotase in Complex with 5-Fluoroorotic Acid From Saccharomyces Cerevisiae


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Dihydroorotase in Complex with 5-Fluoroorotic Acid From Saccharomyces Cerevisiae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:61.0
occ:0.70
 F5 B:FOT401 0.0 61.0 0.7
C5 B:FOT401 1.4 53.3 0.7
C6 B:FOT401 2.4 53.8 0.7
C4 B:FOT401 2.5 47.3 0.7
O6 B:FOT401 2.7 54.7 0.7
C41 B:FOT401 2.9 45.1 0.7
OG1 B:THR105 3.0 61.5 1.0
O42 B:FOT401 3.2 51.9 0.7
O B:LYS230 3.2 44.1 1.0
N B:LYS230 3.5 42.6 1.0
CB B:LYS230 3.7 42.4 1.0
N1 B:FOT401 3.8 43.7 0.7
N3 B:FOT401 3.8 54.2 0.7
O41 B:FOT401 3.8 48.9 0.7
CA B:LYS230 3.9 41.2 1.0
OD2 B:ASP258 3.9 36.7 1.0
C B:LYS230 4.0 42.1 1.0
CB B:ALA275 4.1 41.6 1.0
N B:GLY276 4.3 43.4 1.0
C2 B:FOT401 4.3 46.9 0.7
CA B:GLY276 4.3 37.6 1.0
CB B:THR105 4.4 52.7 1.0
C B:ALA275 4.5 44.0 1.0
C B:CYS229 4.6 43.5 1.0
CG B:LYS230 4.6 43.0 1.0
O B:HOH523 4.7 39.4 1.0
CB B:CYS229 4.7 34.0 1.0
CA B:CYS229 4.7 39.4 1.0
OG1 B:THR106 4.8 55.3 1.0
CG B:ASP258 4.8 39.4 1.0
OD1 B:ASP258 4.9 41.2 1.0
O B:ALA275 4.9 58.7 1.0
ZN B:ZN403 4.9 58.6 1.0
CA B:ALA275 5.0 43.0 1.0

Fluorine binding site 4 out of 4 in 7ca0

Go back to Fluorine Binding Sites List in 7ca0
Fluorine binding site 4 out of 4 in the Crystal Structure of Dihydroorotase in Complex with 5-Fluoroorotic Acid From Saccharomyces Cerevisiae


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Dihydroorotase in Complex with 5-Fluoroorotic Acid From Saccharomyces Cerevisiae within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F401

b:68.4
occ:0.74
 F5 D:FOT401 0.0 68.4 0.7
C5 D:FOT401 1.4 62.9 0.7
C6 D:FOT401 2.5 67.3 0.7
C4 D:FOT401 2.5 59.6 0.7
O6 D:FOT401 2.8 71.3 0.7
OG1 D:THR105 2.9 68.2 1.0
C41 D:FOT401 3.0 60.3 0.7
O41 D:FOT401 3.2 65.3 0.7
O D:LYS230 3.8 54.3 1.0
CB D:ALA275 3.8 47.7 1.0
N3 D:FOT401 3.8 67.2 0.7
N1 D:FOT401 3.8 59.0 0.7
O42 D:FOT401 3.8 58.2 0.7
N D:LYS230 3.8 52.9 1.0
N D:GLY276 4.0 53.6 1.0
CB D:LYS230 4.0 53.9 1.0
CA D:GLY276 4.1 51.9 1.0
C D:ALA275 4.2 56.5 1.0
CB D:THR105 4.2 67.3 1.0
C2 D:FOT401 4.3 65.9 0.7
CA D:LYS230 4.3 47.3 1.0
OD2 D:ASP258 4.4 58.0 1.0
C D:LYS230 4.5 49.7 1.0
O D:ALA275 4.6 62.0 1.0
OG1 D:THR106 4.6 69.2 1.0
CA D:ALA275 4.6 50.1 1.0
O D:HOH519 4.7 47.4 1.0
N D:THR106 4.8 67.7 1.0
C D:CYS229 4.8 49.2 1.0
CB D:ALA260 4.9 54.7 1.0
CG D:LYS230 4.9 54.1 1.0
CA D:CYS229 4.9 49.3 1.0
OD1 D:ASP258 5.0 54.2 1.0

Reference:

H.H.Guan, Y.H.Huang, C.Y.Huang, C.J.Chen. Crystal Structure of Dihydroorotase From Saccharomyces Cerevisiae To Be Published.
Page generated: Sat Jul 10 14:02:57 2021

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