Iron in PDB 9gk1: Ssx Structure of Human Cytochrome P450 3A4 at Room Temperature

All present enzymatic activity of Ssx Structure of Human Cytochrome P450 3A4 at Room Temperature:
1.14.14.1; 1.14.14.55; 1.14.14.56; 1.14.14.73;

The structure of Ssx Structure of Human Cytochrome P450 3A4 at Room Temperature, PDB code: 9gk1 was solved by J.Glerup, G.Branden, O.Uwangue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.75 / 2.95
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	79.95, 103.74, 128.64, 90, 90, 90
R / Rfree (%)	24.4 / 29.5

The binding sites of Iron atom in the Ssx Structure of Human Cytochrome P450 3A4 at Room Temperature (pdb code 9gk1). 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 Ssx Structure of Human Cytochrome P450 3A4 at Room Temperature, PDB code: 9gk1:

Iron binding site 1 out of 1 in the Ssx Structure of Human Cytochrome P450 3A4 at Room Temperature


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ssx Structure of Human Cytochrome P450 3A4 at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:98.6 occ:1.00 FE A:HEM601 0.0 98.6 1.0 ND A:HEM601 1.9 99.0 1.0 NA A:HEM601 2.0 97.8 1.0 NC A:HEM601 2.1 99.9 1.0 NB A:HEM601 2.1 98.8 1.0 O A:HOH701 2.4 30.0 1.0 SG A:CYS442 2.5 105.9 1.0 C4D A:HEM601 2.9 98.3 1.0 C1D A:HEM601 2.9 99.7 1.0 C1A A:HEM601 3.0 97.4 1.0 C4A A:HEM601 3.1 97.8 1.0 C4C A:HEM601 3.1 100.6 1.0 C1B A:HEM601 3.1 98.8 1.0 C4B A:HEM601 3.1 99.8 1.0 C1C A:HEM601 3.1 100.5 1.0 CB A:CYS442 3.3 106.9 1.0 CHA A:HEM601 3.3 97.6 1.0 CHD A:HEM601 3.4 100.5 1.0 CHB A:HEM601 3.5 98.7 1.0 CHC A:HEM601 3.5 100.4 1.0 CA A:CYS442 4.0 107.9 1.0 C3D A:HEM601 4.1 99.0 1.0 C2D A:HEM601 4.2 100.1 1.0 C2A A:HEM601 4.2 97.4 1.0 C3A A:HEM601 4.2 97.5 1.0 C3C A:HEM601 4.3 101.9 1.0 C2C A:HEM601 4.3 101.7 1.0 C2B A:HEM601 4.3 99.4 1.0 C3B A:HEM601 4.4 100.3 1.0 O A:ALA305 4.4 107.5 1.0 CB A:ALA305 4.5 107.2 1.0 C A:CYS442 4.9 109.9 1.0 O A:HOH702 5.0 111.4 1.0

O.Uwangue, J.Glerup, A.Dunge, M.Bjelcic, G.Wehlander, G.Branden. Microcrystallization and Room-Temperature Serial Crystallography Structure of Human Cytochrome P450 3A4. Arch.Biochem.Biophys. V. 769 10419 2025.
ISSN: ESSN 1096-0384
PubMed: 40209873
DOI: 10.1016/J.ABB.2025.110419