Atomistry » Fluorine » PDB 6xk9-6y8h » 6xvf
Atomistry »
  Fluorine »
    PDB 6xk9-6y8h »
      6xvf »

Fluorine in PDB 6xvf: Crystal Structure of Bovine Cytochrome BC1 in Complex with Tetrahydro- Quinolone Inhibitor JAG021

Enzymatic activity of Crystal Structure of Bovine Cytochrome BC1 in Complex with Tetrahydro- Quinolone Inhibitor JAG021

All present enzymatic activity of Crystal Structure of Bovine Cytochrome BC1 in Complex with Tetrahydro- Quinolone Inhibitor JAG021:
7.1.1.8;

Protein crystallography data

The structure of Crystal Structure of Bovine Cytochrome BC1 in Complex with Tetrahydro- Quinolone Inhibitor JAG021, PDB code: 6xvf was solved by K.Amporndanai, 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) 90.88 / 3.50
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 209.869, 209.869, 342.418, 90.00, 90.00, 120.00
R / Rfree (%) 21.7 / 23.2

Other elements in 6xvf:

The structure of Crystal Structure of Bovine Cytochrome BC1 in Complex with Tetrahydro- Quinolone Inhibitor JAG021 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 Tetrahydro- Quinolone Inhibitor JAG021 (pdb code 6xvf). 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 Tetrahydro- Quinolone Inhibitor JAG021, PDB code: 6xvf:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 6xvf

Go back to Fluorine Binding Sites List in 6xvf
Fluorine binding site 1 out of 3 in the Crystal Structure of Bovine Cytochrome BC1 in Complex with Tetrahydro- Quinolone Inhibitor JAG021


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 Tetrahydro- Quinolone Inhibitor JAG021 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F408

b:0.2
occ:1.00
F2 C:JAG408 0.0 0.2 1.0
C22 C:JAG408 1.3 0.7 1.0
F C:JAG408 2.1 0.8 1.0
F1 C:JAG408 2.2 0.8 1.0
O2 C:JAG408 2.2 0.8 1.0
C19 C:JAG408 3.4 0.1 1.0
CG C:MET190 3.5 0.0 1.0
C18 C:JAG408 3.9 0.2 1.0
CD2 C:LEU41 4.1 0.2 1.0
CD1 C:ILE42 4.3 1.0 1.0
SD C:MET190 4.4 0.2 1.0
C20 C:JAG408 4.4 0.4 1.0
CB C:MET190 4.5 0.1 1.0
CA C:MET190 4.5 0.8 1.0
O C:MET190 4.6 0.7 1.0
CB C:ALA193 4.7 0.1 1.0
CE C:MET194 4.8 0.5 1.0
CG1 C:ILE42 4.9 0.1 1.0

Fluorine binding site 2 out of 3 in 6xvf

Go back to Fluorine Binding Sites List in 6xvf
Fluorine binding site 2 out of 3 in the Crystal Structure of Bovine Cytochrome BC1 in Complex with Tetrahydro- Quinolone Inhibitor JAG021


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 Tetrahydro- Quinolone Inhibitor JAG021 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F408

b:0.8
occ:1.00
F C:JAG408 0.0 0.8 1.0
C22 C:JAG408 1.3 0.7 1.0
F2 C:JAG408 2.1 0.2 1.0
F1 C:JAG408 2.2 0.8 1.0
O2 C:JAG408 2.3 0.8 1.0
C19 C:JAG408 3.3 0.1 1.0
CE C:MET194 3.4 0.5 1.0
C20 C:JAG408 3.6 0.4 1.0
CG C:MET194 3.7 1.0 1.0
CG C:MET190 4.3 0.0 1.0
C18 C:JAG408 4.4 0.2 1.0
SD C:MET194 4.4 0.5 1.0
O C:MET190 4.6 0.7 1.0
C21 C:JAG408 4.9 0.5 1.0

Fluorine binding site 3 out of 3 in 6xvf

Go back to Fluorine Binding Sites List in 6xvf
Fluorine binding site 3 out of 3 in the Crystal Structure of Bovine Cytochrome BC1 in Complex with Tetrahydro- Quinolone Inhibitor JAG021


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 Tetrahydro- Quinolone Inhibitor JAG021 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F408

b:0.8
occ:1.00
F1 C:JAG408 0.0 0.8 1.0
C22 C:JAG408 1.3 0.7 1.0
F C:JAG408 2.2 0.8 1.0
F2 C:JAG408 2.2 0.2 1.0
O2 C:JAG408 2.3 0.8 1.0
C19 C:JAG408 2.6 0.1 1.0
C18 C:JAG408 3.2 0.2 1.0
C20 C:JAG408 3.3 0.4 1.0
C17 C:JAG408 4.2 0.4 1.0
C21 C:JAG408 4.2 0.5 1.0
CA C:GLY38 4.4 0.4 1.0
CD1 C:LEU197 4.6 0.2 1.0
C16 C:JAG408 4.6 0.6 1.0
CB C:ALA193 4.7 0.1 1.0

Reference:

M.J.Mcphillie, Y.Zhou, M.R.Hickman, J.A.Gordon, C.R.Weber, Q.Li, P.J.Lee, K.Amporndanai, R.M.Johnson, H.Darby, S.Woods, Z.H.Li, R.S.Priestley, K.D.Ristroph, S.B.Biering, K.El Bissati, S.Hwang, F.E.Hakim, S.M.Dovgin, J.D.Lykins, L.Roberts, K.Hargrave, H.Cong, A.P.Sinai, S.P.Muench, J.P.Dubey, R.K.Prud'homme, H.A.Lorenzi, G.A.Biagini, S.N.Moreno, C.W.Roberts, S.V.Antonyuk, C.W.G.Fishwick, R.Mcleod. Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites. Front Cell Infect Microbiol V. 10 203 2020.
ISSN: ESSN 2235-2988
PubMed: 32626661
DOI: 10.3389/FCIMB.2020.00203
Page generated: Fri Aug 2 04:18:08 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy