Fluorine in PDB 6oo9: Human CYP3A4 Bound to A Drug Mibefradil

All present enzymatic activity of Human CYP3A4 Bound to A Drug Mibefradil:
1.14.14.55; 1.14.14.56; 1.14.14.73;

The structure of Human CYP3A4 Bound to A Drug Mibefradil, PDB code: 6oo9 was solved by I.F.Sevrioukova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.08 / 2.25
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.810, 102.750, 127.400, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 26.1

The structure of Human CYP3A4 Bound to A Drug Mibefradil also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Fluorine atom in the Human CYP3A4 Bound to A Drug Mibefradil (pdb code 6oo9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Human CYP3A4 Bound to A Drug Mibefradil, PDB code: 6oo9:

Fluorine binding site 1 out of 1 in the Human CYP3A4 Bound to A Drug Mibefradil


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human CYP3A4 Bound to A Drug Mibefradil within 5.0Å range: probe atom residue distance (Å) B Occ A:F602 b:0.1 occ:1.00 F31 A:MWV602 0.0 0.1 1.0 C30 A:MWV602 1.3 89.7 1.0 C29 A:MWV602 2.4 73.7 1.0 C32 A:MWV602 2.4 75.4 1.0 CB A:SER119 2.9 74.1 1.0 C2D A:HEM601 3.1 46.9 1.0 C3D A:HEM601 3.1 52.4 1.0 CMD A:HEM601 3.2 51.8 1.0 OG A:SER119 3.3 75.5 1.0 CAD A:HEM601 3.4 37.6 1.0 CG1 A:ILE301 3.5 52.3 1.0 C28 A:MWV602 3.7 74.8 1.0 C26 A:MWV602 3.7 77.5 1.0 C1D A:HEM601 3.8 47.0 1.0 C4D A:HEM601 3.9 37.1 1.0 CA A:SER119 4.0 73.5 1.0 ND A:HEM601 4.2 44.3 1.0 C27 A:MWV602 4.3 84.5 1.0 CB A:ALA305 4.3 47.2 1.0 N A:SER119 4.3 57.0 1.0 CG2 A:ILE301 4.3 44.9 1.0 CD1 A:ILE301 4.5 50.7 1.0 CHD A:HEM601 4.5 48.4 1.0 CB A:ILE301 4.6 49.2 1.0 CHA A:HEM601 4.7 49.7 1.0 CBD A:HEM601 4.8 43.2 1.0 O A:ILE301 4.8 57.0 1.0 C25 A:MWV602 4.9 91.3 1.0

I.F.Sevrioukova, I.F.Sevrioukova. N/A N/A.
ISSN: ESSN 1422-0067
PubMed: 31480231
DOI: 10.3390/IJMS20174245