Iron in PDB 6ooa: Human CYP3A4 Bound to A Drug Substrate

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

The structure of Human CYP3A4 Bound to A Drug Substrate, PDB code: 6ooa 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)	65.33 / 2.52
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	76.499, 101.590, 125.529, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 25.2

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

Iron binding site 1 out of 1 in the Human CYP3A4 Bound to A Drug Substrate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human CYP3A4 Bound to A Drug Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:57.8 occ:1.00 FE A:HEM601 0.0 57.8 1.0 NA A:HEM601 2.1 63.8 1.0 NC A:HEM601 2.1 57.7 1.0 ND A:HEM601 2.1 56.5 1.0 NB A:HEM601 2.1 60.0 1.0 SG A:CYS442 2.5 66.3 1.0 C1C A:HEM601 3.0 59.0 1.0 C4B A:HEM601 3.0 60.3 1.0 C4A A:HEM601 3.1 62.4 1.0 C1A A:HEM601 3.1 64.3 1.0 C4D A:HEM601 3.1 62.4 1.0 C1D A:HEM601 3.1 56.2 1.0 C1B A:HEM601 3.1 51.5 1.0 C4C A:HEM601 3.1 55.6 1.0 CB A:CYS442 3.3 57.4 1.0 CHC A:HEM601 3.4 48.8 1.0 CHA A:HEM601 3.4 59.0 1.0 CHB A:HEM601 3.5 61.5 1.0 CHD A:HEM601 3.5 52.5 1.0 CA A:CYS442 4.1 63.2 1.0 C3A A:HEM601 4.2 60.2 1.0 C2C A:HEM601 4.2 60.4 1.0 C2A A:HEM601 4.3 60.8 1.0 C09 A:MWY603 4.3 77.5 1.0 C3B A:HEM601 4.3 57.8 1.0 C3D A:HEM601 4.3 60.9 1.0 C3C A:HEM601 4.3 63.4 1.0 C2D A:HEM601 4.3 59.8 1.0 C2B A:HEM601 4.3 60.1 1.0 CB A:ALA305 4.6 62.6 1.0 C08 A:MWY603 4.6 82.2 1.0 C A:CYS442 4.8 52.5 1.0 O A:ALA305 4.9 70.2 1.0 N A:GLY444 5.0 68.2 1.0

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