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Fluorine in PDB 6zfs: Crystal Structure of Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Wdh-1U-4

Enzymatic activity of Crystal Structure of Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Wdh-1U-4

All present enzymatic activity of Crystal Structure of Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Wdh-1U-4:
7.1.1.8;

Protein crystallography data

The structure of Crystal Structure of Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Wdh-1U-4, PDB code: 6zfs 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) 90.74 / 3.50
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 209.56, 209.56, 343.348, 90, 90, 120
R / Rfree (%) 21.7 / 24.6

Other elements in 6zfs:

The structure of Crystal Structure of Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Wdh-1U-4 also contains other interesting chemical elements:

Iron (Fe) 5 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Wdh-1U-4 (pdb code 6zfs). 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 Wdh-1U-4, PDB code: 6zfs:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 6zfs

Go back to Fluorine Binding Sites List in 6zfs
Fluorine binding site 1 out of 3 in the Crystal Structure of Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Wdh-1U-4


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 Wdh-1U-4 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F407

b:176.2
occ:1.00
F2 C:JGW407 0.0 176.2 1.0
C22 C:JGW407 1.3 186.2 1.0
F1 C:JGW407 2.1 190.8 1.0
F C:JGW407 2.1 186.0 1.0
O1 C:JGW407 2.3 185.1 1.0
C19 C:JGW407 2.8 177.4 1.0
C18 C:JGW407 3.2 177.0 1.0
C20 C:JGW407 3.6 167.8 1.0
CA C:GLY38 4.2 94.0 1.0
C17 C:JGW407 4.3 165.6 1.0
CD1 C:LEU197 4.5 101.6 1.0
C21 C:JGW407 4.6 158.2 1.0
CB C:ALA193 4.8 100.4 1.0
C16 C:JGW407 4.9 155.3 1.0
CMB C:HEM402 4.9 96.3 1.0

Fluorine binding site 2 out of 3 in 6zfs

Go back to Fluorine Binding Sites List in 6zfs
Fluorine binding site 2 out of 3 in the Crystal Structure of Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Wdh-1U-4


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 Wdh-1U-4 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F407

b:186.0
occ:1.00
F C:JGW407 0.0 186.0 1.0
C22 C:JGW407 1.3 186.2 1.0
F1 C:JGW407 2.1 190.8 1.0
F2 C:JGW407 2.1 176.2 1.0
O1 C:JGW407 2.3 185.1 1.0
C19 C:JGW407 3.5 177.4 1.0
CE C:MET190 3.7 112.5 1.0
CG C:MET190 4.1 107.5 1.0
CD2 C:LEU41 4.3 92.8 1.0
C20 C:JGW407 4.3 167.8 1.0
C18 C:JGW407 4.4 177.0 1.0
CB C:ALA193 4.4 100.4 1.0
O C:MET190 4.5 100.2 1.0
CE C:MET194 4.6 113.3 1.0
SD C:MET190 4.7 113.9 1.0
CA C:MET190 4.7 100.8 1.0
CB C:MET190 4.9 103.8 1.0
CA C:GLY38 4.9 94.0 1.0

Fluorine binding site 3 out of 3 in 6zfs

Go back to Fluorine Binding Sites List in 6zfs
Fluorine binding site 3 out of 3 in the Crystal Structure of Bovine Cytochrome BC1 in Complex with Quinolone Inhibitor Wdh-1U-4


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 Wdh-1U-4 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F407

b:190.8
occ:1.00
F1 C:JGW407 0.0 190.8 1.0
C22 C:JGW407 1.3 186.2 1.0
F2 C:JGW407 2.1 176.2 1.0
F C:JGW407 2.1 186.0 1.0
O1 C:JGW407 2.3 185.1 1.0
C19 C:JGW407 3.2 177.4 1.0
C18 C:JGW407 3.3 177.0 1.0
CE C:MET194 3.6 113.3 1.0
CG C:MET194 4.1 107.8 1.0
C20 C:JGW407 4.5 167.8 1.0
C17 C:JGW407 4.6 165.6 1.0
SD C:MET194 4.7 113.6 1.0
CD1 C:LEU197 4.8 101.6 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 05:09:56 2024

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