Fluorine in PDB 2fyu: Crystal Structure of Bovine Heart Mitochondrial BC1 with JG144 Inhibitor

All present enzymatic activity of Crystal Structure of Bovine Heart Mitochondrial BC1 with JG144 Inhibitor:
1.10.2.2;

The structure of Crystal Structure of Bovine Heart Mitochondrial BC1 with JG144 Inhibitor, PDB code: 2fyu was solved by D.Xia, L.Esser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.26
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	154.263, 154.263, 590.191, 90.00, 90.00, 90.00
R / Rfree (%)	24.8 / 28.3

The structure of Crystal Structure of Bovine Heart Mitochondrial BC1 with JG144 Inhibitor also contains other interesting chemical elements:

Iron

(Fe)

5 atoms

The binding sites of Fluorine atom in the Crystal Structure of Bovine Heart Mitochondrial BC1 with JG144 Inhibitor (pdb code 2fyu). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Bovine Heart Mitochondrial BC1 with JG144 Inhibitor, PDB code: 2fyu:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Bovine Heart Mitochondrial BC1 with JG144 Inhibitor


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 Heart Mitochondrial BC1 with JG144 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ C:F400 b:73.5 occ:1.00 F13 C:FDN400 0.0 73.5 1.0 C13 C:FDN400 1.3 67.4 1.0 C12 C:FDN400 2.3 69.2 1.0 C8 C:FDN400 2.4 64.1 1.0 C6 C:FDN400 3.0 72.9 1.0 C5 C:FDN400 3.0 69.1 1.0 O4 C:FDN400 3.2 69.7 1.0 N2 C:FDN400 3.2 79.4 1.0 C22 C:FDN400 3.3 61.9 1.0 C3 C:FDN400 3.3 78.2 1.0 CD1 C:ILE146 3.3 12.1 1.0 CG1 C:ILE146 3.3 12.8 1.0 O6 C:FDN400 3.5 71.3 1.0 CD1 C:PHE274 3.5 18.9 1.0 C11 C:FDN400 3.6 70.6 1.0 C9 C:FDN400 3.7 63.4 1.0 CE1 C:PHE274 3.9 14.2 1.0 N1 C:FDN400 4.0 75.8 1.0 C21 C:FDN400 4.0 68.0 1.0 CG C:PHE274 4.0 18.9 1.0 O3 C:FDN400 4.1 79.5 1.0 C10 C:FDN400 4.2 65.2 1.0 C23 C:FDN400 4.2 61.8 1.0 CD2 C:PHE128 4.3 18.7 1.0 C7 C:FDN400 4.5 64.6 1.0 CB C:PHE274 4.6 18.0 1.0 CZ C:PHE274 4.6 16.6 1.0 CB C:ILE146 4.7 20.4 1.0 F11 C:FDN400 4.7 68.7 1.0 CB C:PHE128 4.8 19.9 1.0 CD2 C:PHE274 4.8 12.2 1.0 CG C:PHE128 4.9 25.1 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Bovine Heart Mitochondrial BC1 with JG144 Inhibitor


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 Heart Mitochondrial BC1 with JG144 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ C:F400 b:68.7 occ:1.00 F11 C:FDN400 0.0 68.7 1.0 C11 C:FDN400 1.3 70.6 1.0 C10 C:FDN400 2.4 65.2 1.0 C12 C:FDN400 2.4 69.2 1.0 CB C:MET124 3.3 20.1 1.0 CE C:MET124 3.4 33.3 1.0 CG C:MET124 3.5 12.9 1.0 C9 C:FDN400 3.6 63.4 1.0 O C:MET124 3.7 19.6 1.0 C13 C:FDN400 3.7 67.4 1.0 CD2 C:PHE274 3.7 12.2 1.0 CA C:MET124 3.8 19.9 1.0 C C:MET124 3.8 19.7 1.0 CE2 C:PHE274 3.8 19.8 1.0 C8 C:FDN400 4.2 64.1 1.0 SD C:MET124 4.3 22.7 1.0 CG C:PHE274 4.4 18.9 1.0 CZ C:PHE274 4.7 16.6 1.0 F13 C:FDN400 4.7 73.5 1.0 CB C:PHE128 4.8 19.9 1.0 N C:ALA125 4.8 19.5 1.0

L.Esser, X.Gong, S.Yang, L.Yu, C.A.Yu, D.Xia. Surface-Modulated Motion Switch: Capture and Release of Iron-Sulfur Protein in the Cytochrome BC1 Complex. Proc.Natl.Acad.Sci.Usa V. 103 13045 2006.
ISSN: ISSN 0027-8424
PubMed: 16924113
DOI: 10.1073/PNAS.0601149103