Fluorine in PDB 6ma8: Human CYP3A4 Bound to Pmsf

All present enzymatic activity of Human CYP3A4 Bound to Pmsf:
1.14.14.55; 1.14.14.56;

The structure of Human CYP3A4 Bound to Pmsf, PDB code: 6ma8 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)	40.22 / 1.83
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.220, 99.620, 131.880, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22.9

The structure of Human CYP3A4 Bound to Pmsf also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Fluorine atom in the Human CYP3A4 Bound to Pmsf (pdb code 6ma8). 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 Pmsf, PDB code: 6ma8:

Fluorine binding site 1 out of 1 in the Human CYP3A4 Bound to Pmsf


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 Pmsf within 5.0Å range: probe atom residue distance (Å) B Occ A:F604 b:64.3 occ:1.00 F1 A:PMF604 0.0 64.3 1.0 S1 A:PMF604 1.5 59.2 1.0 O2 A:PMF604 2.4 57.3 1.0 O1 A:PMF604 2.5 70.2 1.0 C4 A:PMF604 2.6 57.3 1.0 C8 A:PMF604 2.8 59.8 1.0 C10 A:PMF604 3.1 57.4 1.0 NH2 A:ARG212 3.6 51.5 1.0 CE2 A:PHE304 3.6 43.5 1.0 C6 A:PMF604 3.7 56.9 1.0 C9 A:PMF604 4.1 58.4 1.0 OG A:SER119 4.1 50.9 1.0 NH1 A:ARG212 4.1 44.2 1.0 CD2 A:PHE304 4.2 37.8 1.0 CZ A:ARG212 4.3 52.7 1.0 CB A:SER119 4.3 43.8 1.0 C7 A:PMF604 4.6 57.3 1.0 CZ A:PHE304 4.6 44.1 1.0 C5 A:PMF604 4.7 56.4 1.0

I.Sevrioukova, I.F.Sevrioukova. N/A N/A.
ISSN: ISSN 0006-2960
PubMed: 30676743
DOI: 10.1021/ACS.BIOCHEM.8B01221