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Fluorine in PDB 6klk: Crystal Structure of the Pseudomonas Aeruginosa Dihydropyrimidinase Complexed with 5-Fu

Enzymatic activity of Crystal Structure of the Pseudomonas Aeruginosa Dihydropyrimidinase Complexed with 5-Fu

All present enzymatic activity of Crystal Structure of the Pseudomonas Aeruginosa Dihydropyrimidinase Complexed with 5-Fu:
3.5.2.2;

Protein crystallography data

The structure of Crystal Structure of the Pseudomonas Aeruginosa Dihydropyrimidinase Complexed with 5-Fu, PDB code: 6klk was solved by Y.H.Huang, I.C.Chen, C.Y.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.83 / 1.76
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 111.333, 111.333, 159.977, 90.00, 90.00, 120.00
R / Rfree (%) 18.5 / 21.2

Other elements in 6klk:

The structure of Crystal Structure of the Pseudomonas Aeruginosa Dihydropyrimidinase Complexed with 5-Fu also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Pseudomonas Aeruginosa Dihydropyrimidinase Complexed with 5-Fu (pdb code 6klk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of the Pseudomonas Aeruginosa Dihydropyrimidinase Complexed with 5-Fu, PDB code: 6klk:

Fluorine binding site 1 out of 1 in 6klk

Go back to Fluorine Binding Sites List in 6klk
Fluorine binding site 1 out of 1 in the Crystal Structure of the Pseudomonas Aeruginosa Dihydropyrimidinase Complexed with 5-Fu


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 the Pseudomonas Aeruginosa Dihydropyrimidinase Complexed with 5-Fu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:41.8
occ:1.00
F5 A:URF501 0.0 41.8 1.0
C5 A:URF501 1.3 35.0 1.0
C4 A:URF501 2.4 35.1 1.0
C6 A:URF501 2.4 32.8 1.0
O4 A:URF501 2.7 40.5 1.0
H6 A:URF501 2.7 39.3 1.0
OQ2 A:KCX150 3.4 23.7 1.0
CE1 A:PHE152 3.5 19.2 1.0
N1 A:URF501 3.6 37.8 1.0
N3 A:URF501 3.6 35.6 1.0
ZN A:ZN502 3.6 22.8 1.0
NE2 A:HIS61 3.6 14.8 1.0
CE1 A:HIS61 3.7 17.0 1.0
CZ A:PHE152 3.8 20.8 1.0
C2 A:URF501 4.1 36.6 1.0
CZ A:PHE66 4.3 32.3 1.0
CD2 A:HIS61 4.3 17.4 1.0
CX A:KCX150 4.3 24.4 1.0
CD2 A:LEU64 4.3 23.9 1.0
CE1 A:PHE66 4.4 34.2 1.0
ND1 A:HIS61 4.4 15.3 1.0
HN1 A:URF501 4.5 45.4 1.0
HN3 A:URF501 4.5 42.7 1.0
ZN A:ZN503 4.5 32.6 1.0
CD1 A:ILE95 4.5 16.0 1.0
CE2 A:TYR155 4.6 32.5 1.0
OH A:TYR155 4.7 39.5 1.0
CD1 A:PHE152 4.7 18.7 1.0
CE2 A:PHE66 4.7 30.8 1.0
CG A:HIS61 4.7 15.2 1.0
OQ1 A:KCX150 4.7 23.9 1.0
CD1 A:PHE66 4.8 30.2 1.0
OD1 A:ASP316 4.9 17.7 1.0
CZ A:TYR155 5.0 34.9 1.0

Reference:

Y.H.Huang, Z.J.Ning, C.Y.Huang. Crystal Structure of Dihydropyrimidinase in Complex with Anticancer Drug 5-Fluorouracil. Biochem.Biophys.Res.Commun. V. 519 160 2019.
ISSN: ESSN 1090-2104
PubMed: 31481233
DOI: 10.1016/J.BBRC.2019.08.153
Page generated: Thu Aug 1 21:53:28 2024

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