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:
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
|