Atomistry » Fluorine » PDB 6z4d-6zpl » 6zfs
Atomistry »
  Fluorine »
    PDB 6z4d-6zpl »
      6zfs »

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

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy