Fluorine in PDB 6l0b: Crystal Structure of Dihydroorotase in Complex with Fluorouracil From Saccharomyces Cerevisiae

Enzymatic activity of Crystal Structure of Dihydroorotase in Complex with Fluorouracil From Saccharomyces Cerevisiae

All present enzymatic activity of Crystal Structure of Dihydroorotase in Complex with Fluorouracil From Saccharomyces Cerevisiae:
3.5.2.3;

Protein crystallography data

The structure of Crystal Structure of Dihydroorotase in Complex with Fluorouracil From Saccharomyces Cerevisiae, PDB code: 6l0b 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) 29.94 / 2.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 85.474, 88.430, 103.165, 90.00, 95.41, 90.00
R / Rfree (%) 19 / 24.9

Other elements in 6l0b:

The structure of Crystal Structure of Dihydroorotase in Complex with Fluorouracil 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 Fluorouracil From Saccharomyces Cerevisiae (pdb code 6l0b). 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 Fluorouracil From Saccharomyces Cerevisiae, PDB code: 6l0b:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 6l0b

Go back to Fluorine Binding Sites List in 6l0b
Fluorine binding site 1 out of 4 in the Crystal Structure of Dihydroorotase in Complex with Fluorouracil 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 Fluorouracil From Saccharomyces Cerevisiae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F403

b:36.7
occ:1.00
 F5 A:URF403 0.0 36.7 1.0
C5 A:URF403 1.4 41.4 1.0
C4 A:URF403 2.4 38.8 1.0
C6 A:URF403 2.5 42.8 1.0
O4 A:URF403 2.6 37.2 1.0
NE2 A:HIS262 2.6 38.9 1.0
OG1 A:THR106 2.7 43.2 1.0
NH2 A:ARG18 2.7 32.5 1.0
CE1 A:HIS262 2.9 33.8 1.0
O A:ALA275 2.9 31.7 1.0
CB A:THR106 3.2 41.4 1.0
CG2 A:THR106 3.5 37.7 1.0
CZ A:ARG18 3.6 33.6 1.0
NH1 A:ARG18 3.6 31.1 1.0
CB A:ALA260 3.6 36.3 1.0
N3 A:URF403 3.8 40.4 1.0
N1 A:URF403 3.8 45.4 1.0
CD2 A:HIS262 3.9 34.5 1.0
C A:ALA275 4.1 34.8 1.0
ND1 A:HIS262 4.1 33.1 1.0
C2 A:URF403 4.4 43.9 1.0
CA A:GLY276 4.5 33.1 1.0
CA A:THR106 4.6 41.4 1.0
CG A:HIS262 4.6 34.6 1.0
CA A:ALA260 4.7 38.4 1.0
O A:ALA260 4.7 37.6 1.0
N A:GLY276 4.7 32.2 1.0
NE A:ARG18 4.8 32.8 1.0
C A:ALA260 4.8 39.2 1.0
N A:THR106 4.9 44.0 1.0

Fluorine binding site 2 out of 4 in 6l0b

Go back to Fluorine Binding Sites List in 6l0b
Fluorine binding site 2 out of 4 in the Crystal Structure of Dihydroorotase in Complex with Fluorouracil 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 Fluorouracil From Saccharomyces Cerevisiae within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F403

b:35.0
occ:1.00
 F5 C:URF403 0.0 35.0 1.0
C5 C:URF403 1.4 35.0 1.0
C4 C:URF403 2.4 37.5 1.0
C6 C:URF403 2.5 34.7 1.0
NH2 C:ARG18 2.5 28.2 1.0
O4 C:URF403 2.5 36.2 1.0
NE2 C:HIS262 2.9 39.7 1.0
OG1 C:THR106 3.1 37.1 1.0
CE1 C:HIS262 3.1 38.5 1.0
O C:ALA275 3.2 32.2 1.0
NH1 C:ARG18 3.3 24.8 1.0
CZ C:ARG18 3.3 27.4 1.0
CB C:ALA260 3.5 27.1 1.0
CB C:THR106 3.5 36.7 1.0
N3 C:URF403 3.7 45.4 1.0
CG2 C:THR106 3.7 35.1 1.0
N1 C:URF403 3.8 43.1 1.0
CD2 C:HIS262 4.1 39.5 1.0
C2 C:URF403 4.3 41.0 1.0
ND1 C:HIS262 4.3 37.6 1.0
C C:ALA275 4.4 31.1 1.0
CA C:ALA260 4.5 27.1 1.0
NE C:ARG18 4.6 27.3 1.0
CA C:GLY276 4.7 26.3 1.0
O C:ALA260 4.7 29.1 1.0
C C:ALA260 4.7 28.8 1.0
CG C:HIS262 4.8 37.0 1.0
CA C:THR106 5.0 36.8 1.0

Fluorine binding site 3 out of 4 in 6l0b

Go back to Fluorine Binding Sites List in 6l0b
Fluorine binding site 3 out of 4 in the Crystal Structure of Dihydroorotase in Complex with Fluorouracil 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 Fluorouracil From Saccharomyces Cerevisiae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F403

b:36.1
occ:1.00
 F5 B:URF403 0.0 36.1 1.0
C5 B:URF403 1.3 38.5 1.0
C6 B:URF403 2.3 39.5 1.0
C4 B:URF403 2.5 43.5 1.0
NH2 B:ARG18 2.8 24.0 1.0
O4 B:URF403 2.8 40.9 1.0
NH1 B:ARG18 3.1 26.4 1.0
OG1 B:THR106 3.1 31.2 1.0
CB B:THR106 3.1 33.3 1.0
CZ B:ARG18 3.4 26.3 1.0
CG2 B:THR106 3.5 33.2 1.0
NE2 B:HIS262 3.6 29.0 1.0
N1 B:URF403 3.7 45.1 1.0
N3 B:URF403 3.8 49.7 1.0
CB B:ALA260 3.8 26.0 1.0
O B:ALA275 3.9 30.6 1.0
CE1 B:HIS262 4.0 29.5 1.0
ND2 B:ASN43 4.0 26.4 1.0
C2 B:URF403 4.3 41.1 1.0
CA B:THR106 4.5 33.7 1.0
NE B:ARG18 4.7 26.9 1.0
CD2 B:HIS262 4.8 26.9 1.0
ND1 B:HIS16 4.8 27.6 1.0
N B:THR106 4.9 34.5 1.0
CA B:ALA260 4.9 27.7 1.0
CE1 B:HIS16 4.9 25.2 1.0
O B:THR106 5.0 33.4 1.0

Fluorine binding site 4 out of 4 in 6l0b

Go back to Fluorine Binding Sites List in 6l0b
Fluorine binding site 4 out of 4 in the Crystal Structure of Dihydroorotase in Complex with Fluorouracil 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 Fluorouracil From Saccharomyces Cerevisiae within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F403

b:58.6
occ:1.00
 F5 D:URF403 0.0 58.6 1.0
C5 D:URF403 1.4 58.6 1.0
C4 D:URF403 2.4 59.1 1.0
C6 D:URF403 2.5 57.5 1.0
O4 D:URF403 2.6 61.2 1.0
O D:ALA275 2.7 36.0 1.0
NE2 D:HIS262 2.7 42.1 1.0
OG1 D:THR106 2.9 58.8 1.0
NH2 D:ARG18 3.0 49.3 1.0
CB D:ALA260 3.3 41.9 1.0
CE1 D:HIS262 3.4 40.6 1.0
CB D:THR106 3.4 62.5 1.0
N3 D:URF403 3.7 57.9 1.0
N1 D:URF403 3.8 60.2 1.0
CG2 D:THR106 3.8 54.9 1.0
C D:ALA275 3.8 37.3 1.0
CD2 D:HIS262 3.8 41.4 1.0
NH1 D:ARG18 3.8 42.5 1.0
CZ D:ARG18 3.8 48.1 1.0
CA D:GLY276 4.1 33.1 1.0
C2 D:URF403 4.3 55.4 1.0
N D:GLY276 4.4 33.1 1.0
CA D:ALA260 4.5 43.2 1.0
ND1 D:HIS262 4.6 41.1 1.0
O D:ALA260 4.8 44.3 1.0
CG D:HIS262 4.8 40.0 1.0
C D:ALA260 4.9 43.7 1.0
CA D:THR106 4.9 60.2 1.0
CA D:ALA275 4.9 36.1 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: Sun Dec 13 12:56:13 2020

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