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Zinc in PDB 2e25: The Crystal Structure of the T109S Mutant of E. Coli Dihydroorotase Complexed with An Inhibitor 5-Fluoroorotate

Enzymatic activity of The Crystal Structure of the T109S Mutant of E. Coli Dihydroorotase Complexed with An Inhibitor 5-Fluoroorotate

All present enzymatic activity of The Crystal Structure of the T109S Mutant of E. Coli Dihydroorotase Complexed with An Inhibitor 5-Fluoroorotate:
3.5.2.3;

Protein crystallography data

The structure of The Crystal Structure of the T109S Mutant of E. Coli Dihydroorotase Complexed with An Inhibitor 5-Fluoroorotate, PDB code: 2e25 was solved by M.Lee, M.J.Maher, J.M.Guss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.70
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 72.610, 72.610, 176.120, 90.00, 90.00, 90.00
R / Rfree (%) 21.8 / 25.7

Other elements in 2e25:

The structure of The Crystal Structure of the T109S Mutant of E. Coli Dihydroorotase Complexed with An Inhibitor 5-Fluoroorotate also contains other interesting chemical elements:

Fluorine (F) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the The Crystal Structure of the T109S Mutant of E. Coli Dihydroorotase Complexed with An Inhibitor 5-Fluoroorotate (pdb code 2e25). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the The Crystal Structure of the T109S Mutant of E. Coli Dihydroorotase Complexed with An Inhibitor 5-Fluoroorotate, PDB code: 2e25:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 2e25

Go back to Zinc Binding Sites List in 2e25
Zinc binding site 1 out of 2 in the The Crystal Structure of the T109S Mutant of E. Coli Dihydroorotase Complexed with An Inhibitor 5-Fluoroorotate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Crystal Structure of the T109S Mutant of E. Coli Dihydroorotase Complexed with An Inhibitor 5-Fluoroorotate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn400

b:68.0
occ:1.00
OQ1 A:KCX102 1.9 62.1 1.0
NE2 A:HIS177 2.1 62.8 1.0
ND1 A:HIS139 2.2 63.8 1.0
O A:HOH420 2.3 63.5 1.0
O6 A:FOT410 2.7 83.8 1.0
CX A:KCX102 2.8 62.9 1.0
CE1 A:HIS139 3.0 62.5 1.0
CE1 A:HIS177 3.0 64.4 1.0
OQ2 A:KCX102 3.0 58.0 1.0
CD2 A:HIS177 3.1 60.0 1.0
CG A:HIS139 3.3 63.6 1.0
ZN A:ZN401 3.4 68.3 1.0
C6 A:FOT410 3.6 84.8 1.0
CB A:HIS139 3.8 64.9 1.0
CE1 A:HIS16 4.0 67.8 1.0
NZ A:KCX102 4.1 65.1 1.0
NE2 A:HIS16 4.1 65.5 1.0
ND1 A:HIS177 4.2 60.9 1.0
NE2 A:HIS139 4.2 59.0 1.0
O A:LEU222 4.2 72.8 1.0
N1 A:FOT410 4.2 85.0 1.0
CG A:HIS177 4.2 59.7 1.0
CD2 A:HIS139 4.4 62.4 1.0
OD2 A:ASP250 4.4 50.6 1.0
CE2 A:TYR104 4.5 67.5 1.0
C5 A:FOT410 4.6 85.2 1.0
OD1 A:ASP250 4.6 49.6 1.0
CA A:HIS139 4.6 62.7 1.0
CE A:KCX102 4.7 63.1 1.0
CD A:PRO223 4.7 67.2 1.0
F5 A:FOT410 4.8 85.3 1.0
CG A:ASP250 4.8 50.7 1.0

Zinc binding site 2 out of 2 in 2e25

Go back to Zinc Binding Sites List in 2e25
Zinc binding site 2 out of 2 in the The Crystal Structure of the T109S Mutant of E. Coli Dihydroorotase Complexed with An Inhibitor 5-Fluoroorotate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Crystal Structure of the T109S Mutant of E. Coli Dihydroorotase Complexed with An Inhibitor 5-Fluoroorotate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:68.3
occ:1.00
NE2 A:HIS18 2.1 64.0 1.0
O A:HOH420 2.1 63.5 1.0
NE2 A:HIS16 2.2 65.5 1.0
OQ2 A:KCX102 2.2 58.0 1.0
OD1 A:ASP250 2.3 49.6 1.0
CE1 A:HIS18 2.9 61.7 1.0
CD2 A:HIS16 3.1 63.0 1.0
CX A:KCX102 3.1 62.9 1.0
CD2 A:HIS18 3.2 61.7 1.0
CE1 A:HIS16 3.2 67.8 1.0
CG A:ASP250 3.2 50.7 1.0
ZN A:ZN400 3.4 68.0 1.0
OQ1 A:KCX102 3.6 62.1 1.0
OD2 A:ASP250 3.8 50.6 1.0
ND1 A:HIS18 4.0 59.6 1.0
NZ A:KCX102 4.1 65.1 1.0
CG A:HIS18 4.2 61.1 1.0
CD2 A:HIS177 4.3 60.0 1.0
CG A:HIS16 4.3 64.5 1.0
CG A:MET42 4.3 69.7 1.0
O6 A:FOT410 4.3 83.8 1.0
ND1 A:HIS16 4.3 60.1 1.0
C6 A:FOT410 4.3 84.8 1.0
NE2 A:HIS177 4.3 62.8 1.0
CB A:ASP250 4.3 55.6 1.0
C5 A:FOT410 4.3 85.2 1.0
F5 A:FOT410 4.4 85.3 1.0
OH A:TYR104 4.5 67.6 1.0
CA A:ASP250 4.6 56.7 1.0
CE A:MET42 4.8 67.5 1.0
N1 A:FOT410 4.9 85.0 1.0

Reference:

M.Lee, M.J.Maher, J.M.Guss. Structure of the T109S Mutant of Escherichia Coli Dihydroorotase Complexed with the Inhibitor 5-Fluoroorotate: Catalytic Activity Is Reflected By the Crystal Form Acta Crystallogr.,Sect.F V. 63 154 2007.
ISSN: ESSN 1744-3091
PubMed: 17329804
DOI: 10.1107/S1744309107004009
Page generated: Wed Oct 16 22:56:10 2024

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