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Fluorine in PDB 6zft: Crystal Structure of Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Ck-2-68

Enzymatic activity of Crystal Structure of Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Ck-2-68

All present enzymatic activity of Crystal Structure of Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Ck-2-68:
7.1.1.8;

Protein crystallography data

The structure of Crystal Structure of Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Ck-2-68, PDB code: 6zft was solved by K.Amporndanai, P.M.O'neill, W.D.Hong, R.K.Amewu, C.Pidathala, N.G.Berry, G.A.Biagini, S.C.Leung, S.S.Hasnain, S.V.Antonyuk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 60.92 / 3.30
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 212.36, 212.36, 345.914, 90, 90, 120
R / Rfree (%) 21.4 / 24.4

Other elements in 6zft:

The structure of Crystal Structure of Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Ck-2-68 also contains other interesting chemical elements:

Iron (Fe) 5 atoms
Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Ck-2-68 (pdb code 6zft). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Ck-2-68, PDB code: 6zft:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 6zft

Go back to Fluorine Binding Sites List in 6zft
Fluorine binding site 1 out of 3 in the Crystal Structure of Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Ck-2-68


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 Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Ck-2-68 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F404

b:121.8
occ:1.00
F2 C:JHB404 0.0 121.8 1.0
C23 C:JHB404 1.3 124.8 1.0
F1 C:JHB404 2.2 128.6 1.0
F C:JHB404 2.2 124.7 1.0
O1 C:JHB404 2.3 121.0 1.0
CE C:MET194 3.4 73.2 1.0
C22 C:JHB404 3.6 114.9 1.0
SD C:MET190 3.7 73.4 1.0
CG C:MET194 4.2 73.0 1.0
C18 C:JHB404 4.4 113.0 1.0
C21 C:JHB404 4.4 111.6 1.0
SD C:MET194 4.6 73.0 1.0
O C:MET190 4.8 73.1 1.0

Fluorine binding site 2 out of 3 in 6zft

Go back to Fluorine Binding Sites List in 6zft
Fluorine binding site 2 out of 3 in the Crystal Structure of Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Ck-2-68


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 Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Ck-2-68 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F404

b:124.7
occ:1.00
F C:JHB404 0.0 124.7 1.0
C23 C:JHB404 1.3 124.8 1.0
F1 C:JHB404 2.2 128.6 1.0
F2 C:JHB404 2.2 121.8 1.0
O1 C:JHB404 2.3 121.0 1.0
C22 C:JHB404 3.1 114.9 1.0
C18 C:JHB404 3.2 113.0 1.0
CE C:MET194 4.3 73.2 1.0
C21 C:JHB404 4.4 111.6 1.0
C19 C:JHB404 4.5 110.2 1.0
CG C:MET194 4.6 73.0 1.0
SD C:MET194 4.9 73.0 1.0

Fluorine binding site 3 out of 3 in 6zft

Go back to Fluorine Binding Sites List in 6zft
Fluorine binding site 3 out of 3 in the Crystal Structure of Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Ck-2-68


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 Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Ck-2-68 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F404

b:128.6
occ:1.00
F1 C:JHB404 0.0 128.6 1.0
C23 C:JHB404 1.3 124.8 1.0
F2 C:JHB404 2.2 121.8 1.0
F C:JHB404 2.2 124.7 1.0
O1 C:JHB404 2.3 121.0 1.0
C22 C:JHB404 2.7 114.9 1.0
C18 C:JHB404 3.3 113.0 1.0
C21 C:JHB404 3.5 111.6 1.0
C19 C:JHB404 4.4 110.2 1.0
C20 C:JHB404 4.5 108.4 1.0
C17 C:JHB404 4.9 107.5 1.0
CG C:MET194 5.0 73.0 1.0
CD2 C:LEU197 5.0 73.3 1.0

Reference:

K.Amporndanai, P.M.O'neill, W.D.Hong, R.K.Amewu, C.Pidathala, N.Berry, G.A.Biangini, S.C.Leung, S.S.Hasnain, S.V.Antonyuk. Targeting the Ubiquinol-Reduction (Qi) Site of the Mitochondrial Cytochrome BC1 Complex For the Development of Next Generation Quinolone Antimalarials To Be Published.
Page generated: Fri Aug 2 05:11:21 2024

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