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Zinc 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:

Fluorine (F) 1 atom

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of the Pseudomonas Aeruginosa Dihydropyrimidinase Complexed with 5-Fu, PDB code: 6klk:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 6klk

Go back to Zinc Binding Sites List in 6klk
Zinc binding site 1 out of 4 in the Crystal Structure of the Pseudomonas Aeruginosa Dihydropyrimidinase Complexed with 5-Fu


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn 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:Zn502

b:22.8
occ:1.00
NE2 A:HIS61 2.1 14.8 1.0
NE2 A:HIS59 2.1 17.2 1.0
OQ2 A:KCX150 2.1 23.7 1.0
OD1 A:ASP316 2.2 17.7 1.0
CD2 A:HIS61 3.0 17.4 1.0
CD2 A:HIS59 3.0 13.1 1.0
CX A:KCX150 3.1 24.4 1.0
CE1 A:HIS59 3.1 17.4 1.0
CG A:ASP316 3.1 22.4 1.0
CE1 A:HIS61 3.1 17.0 1.0
ZN A:ZN503 3.4 32.6 1.0
OQ1 A:KCX150 3.4 23.9 1.0
C5 A:URF501 3.5 35.0 1.0
F5 A:URF501 3.6 41.8 1.0
C6 A:URF501 3.7 32.8 1.0
OD2 A:ASP316 3.7 25.6 1.0
C4 A:URF501 3.9 35.1 1.0
H6 A:URF501 4.0 39.3 1.0
CG A:HIS61 4.2 15.2 1.0
NZ A:KCX150 4.2 17.2 1.0
CG A:HIS59 4.2 13.0 1.0
ND1 A:HIS61 4.2 15.3 1.0
ND1 A:HIS59 4.2 16.8 1.0
CB A:ASP316 4.2 16.2 1.0
N1 A:URF501 4.3 37.8 1.0
O4 A:URF501 4.3 40.5 1.0
CE1 A:HIS239 4.3 20.4 1.0
N3 A:URF501 4.4 35.6 1.0
ND1 A:HIS239 4.4 18.1 1.0
C2 A:URF501 4.5 36.6 1.0
CA A:ASP316 4.6 15.0 1.0
CE1 A:PHE93 4.6 13.8 1.0
HN1 A:URF501 4.8 45.4 1.0

Zinc binding site 2 out of 4 in 6klk

Go back to Zinc Binding Sites List in 6klk
Zinc binding site 2 out of 4 in the Crystal Structure of the Pseudomonas Aeruginosa Dihydropyrimidinase Complexed with 5-Fu


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Pseudomonas Aeruginosa Dihydropyrimidinase Complexed with 5-Fu within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn503

b:32.6
occ:1.00
OQ1 A:KCX150 2.0 23.9 1.0
CE1 A:HIS239 2.1 20.4 1.0
ND1 A:HIS183 2.1 17.9 1.0
H6 A:URF501 2.6 39.3 1.0
NE2 A:HIS239 2.8 19.1 1.0
CX A:KCX150 2.9 24.4 1.0
CE1 A:HIS183 3.0 21.6 1.0
C6 A:URF501 3.1 32.8 1.0
ND1 A:HIS239 3.2 18.1 1.0
OQ2 A:KCX150 3.2 23.7 1.0
CG A:HIS183 3.2 17.6 1.0
HN1 A:URF501 3.3 45.4 1.0
ZN A:ZN502 3.4 22.8 1.0
N1 A:URF501 3.5 37.8 1.0
CB A:HIS183 3.6 16.0 1.0
O A:SER289 4.0 20.1 1.0
C5 A:URF501 4.1 35.0 1.0
CD2 A:HIS239 4.1 19.7 1.0
CE1 A:PHE152 4.1 19.2 1.0
CE1 A:HIS59 4.1 17.4 1.0
NZ A:KCX150 4.1 17.2 1.0
CG2 A:VAL238 4.1 13.0 1.0
NE2 A:HIS183 4.1 19.2 1.0
NE2 A:HIS59 4.2 17.2 1.0
CG A:HIS239 4.2 16.9 1.0
CD2 A:HIS183 4.3 16.9 1.0
F5 A:URF501 4.5 41.8 1.0
CA A:HIS183 4.6 14.0 1.0
CE A:KCX150 4.6 15.8 1.0
CD1 A:PHE152 4.6 18.7 1.0
C2 A:URF501 4.6 36.6 1.0
OD1 A:ASP316 4.8 17.7 1.0
OD2 A:ASP316 4.8 25.6 1.0
CG A:ASP316 5.0 22.4 1.0

Zinc binding site 3 out of 4 in 6klk

Go back to Zinc Binding Sites List in 6klk
Zinc binding site 3 out of 4 in the Crystal Structure of the Pseudomonas Aeruginosa Dihydropyrimidinase Complexed with 5-Fu


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of the Pseudomonas Aeruginosa Dihydropyrimidinase Complexed with 5-Fu within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn501

b:27.1
occ:1.00
OQ2 B:KCX150 2.0 25.9 1.0
OD1 B:ASP316 2.1 19.7 1.0
NE2 B:HIS59 2.1 20.1 1.0
NE2 B:HIS61 2.2 20.1 1.0
CX B:KCX150 3.0 26.9 1.0
CD2 B:HIS61 3.0 21.2 1.0
CD2 B:HIS59 3.0 17.7 1.0
ZN B:ZN502 3.1 30.0 1.0
CE1 B:HIS59 3.1 20.7 1.0
CG B:ASP316 3.1 23.4 1.0
CE1 B:HIS61 3.2 22.6 1.0
OQ1 B:KCX150 3.3 25.1 1.0
OD2 B:ASP316 3.6 26.5 1.0
NZ B:KCX150 4.1 20.6 1.0
ND1 B:HIS59 4.2 20.1 1.0
CG B:HIS59 4.2 18.9 1.0
CG B:HIS61 4.2 20.3 1.0
CB B:ASP316 4.2 19.4 1.0
ND1 B:HIS61 4.3 19.8 1.0
CE1 B:HIS239 4.3 19.1 1.0
ND1 B:HIS239 4.4 23.9 1.0
CA B:ASP316 4.6 18.9 1.0
CE1 B:PHE93 4.7 19.0 1.0

Zinc binding site 4 out of 4 in 6klk

Go back to Zinc Binding Sites List in 6klk
Zinc binding site 4 out of 4 in the Crystal Structure of the Pseudomonas Aeruginosa Dihydropyrimidinase Complexed with 5-Fu


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of the Pseudomonas Aeruginosa Dihydropyrimidinase Complexed with 5-Fu within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn502

b:30.0
occ:1.00
OQ1 B:KCX150 1.9 25.1 1.0
CE1 B:HIS239 2.3 19.1 1.0
ND1 B:HIS183 2.3 18.2 1.0
CX B:KCX150 2.8 26.9 1.0
OQ2 B:KCX150 3.1 25.9 1.0
ZN B:ZN501 3.1 27.1 1.0
NE2 B:HIS239 3.2 24.2 1.0
CE1 B:HIS183 3.2 19.0 1.0
ND1 B:HIS239 3.3 23.9 1.0
CG B:HIS183 3.4 19.0 1.0
CB B:HIS183 3.8 17.2 1.0
CE1 B:HIS59 4.0 20.7 1.0
NZ B:KCX150 4.0 20.6 1.0
NE2 B:HIS59 4.0 20.1 1.0
O B:SER289 4.0 21.1 1.0
CE2 B:PHE152 4.1 22.9 1.0
CG2 B:VAL238 4.3 16.2 1.0
NE2 B:HIS183 4.3 21.9 1.0
CD2 B:HIS239 4.4 18.2 1.0
OD1 B:ASP316 4.4 19.7 1.0
CG B:HIS239 4.5 18.5 1.0
CD2 B:HIS183 4.5 19.6 1.0
OD2 B:ASP316 4.5 26.5 1.0
CE B:KCX150 4.5 19.3 1.0
CD2 B:PHE152 4.6 17.8 1.0
CG B:ASP316 4.7 23.4 1.0
CA B:HIS183 4.8 16.5 1.0
NE2 B:HIS61 5.0 20.1 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: Tue Oct 29 01:49:59 2024

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