Iron in PDB 6mjm: Substrate Free Cytochrome P450 3A5 (CYP3A5)

All present enzymatic activity of Substrate Free Cytochrome P450 3A5 (CYP3A5):
1.14.14.1;

The structure of Substrate Free Cytochrome P450 3A5 (CYP3A5), PDB code: 6mjm was solved by M.H.Hsu, E.F.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.27 / 2.20
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	75.670, 100.690, 136.020, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 24.8

The binding sites of Iron atom in the Substrate Free Cytochrome P450 3A5 (CYP3A5) (pdb code 6mjm). 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 Substrate Free Cytochrome P450 3A5 (CYP3A5), PDB code: 6mjm:

Iron binding site 1 out of 1 in the Substrate Free Cytochrome P450 3A5 (CYP3A5)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Substrate Free Cytochrome P450 3A5 (CYP3A5) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:48.2 occ:1.00 FE A:HEM601 0.0 48.2 1.0 ND A:HEM601 1.9 43.0 1.0 NA A:HEM601 2.0 48.1 1.0 NC A:HEM601 2.1 45.8 1.0 NB A:HEM601 2.1 42.7 1.0 SG A:CYS441 2.4 56.3 1.0 O A:HOH743 2.4 59.8 1.0 C1D A:HEM601 2.9 46.1 1.0 C4D A:HEM601 2.9 43.6 1.0 C1A A:HEM601 3.0 47.0 1.0 C4C A:HEM601 3.0 45.9 1.0 C4A A:HEM601 3.1 46.6 1.0 C1B A:HEM601 3.1 45.4 1.0 C4B A:HEM601 3.1 46.8 1.0 C1C A:HEM601 3.1 44.7 1.0 CB A:CYS441 3.2 54.8 1.0 CHA A:HEM601 3.4 46.0 1.0 CHD A:HEM601 3.4 46.5 1.0 CHB A:HEM601 3.5 45.3 1.0 CHC A:HEM601 3.5 44.9 1.0 CA A:CYS441 4.0 52.6 1.0 C2D A:HEM601 4.1 44.1 1.0 C3D A:HEM601 4.2 45.2 1.0 C2A A:HEM601 4.2 46.8 1.0 C3A A:HEM601 4.2 44.9 1.0 C3C A:HEM601 4.3 47.5 1.0 C2B A:HEM601 4.3 41.5 1.0 C2C A:HEM601 4.3 48.9 1.0 C3B A:HEM601 4.3 42.8 1.0 CB A:ALA305 4.7 46.6 1.0 C A:CYS441 4.7 51.3 1.0 O A:ALA305 4.8 47.1 1.0 C3 A:GOL604 4.9 70.1 1.0 N A:ILE442 4.9 53.3 1.0 N A:GLY443 4.9 56.1 1.0

M.H.Hsu, E.F.Johnson. Active-Site Differences Between Substrate-Free and Ritonavir-Bound Cytochrome P450 (Cyp) 3A5 Reveal Plasticity Differences Between CYP3A5 and CYP3A4. J.Biol.Chem. V. 294 8015 2019.
ISSN: ESSN 1083-351X
PubMed: 30926609
DOI: 10.1074/JBC.RA119.007928