Iron in PDB 8q5j: Cytochrome P450 Monooxygenase From Streptomyces Scabiei (Sscacyp)

The structure of Cytochrome P450 Monooxygenase From Streptomyces Scabiei (Sscacyp), PDB code: 8q5j was solved by D.J.Opperman, A.C.Ebrecht, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.38 / 1.48
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	121.27, 46.89, 75.73, 90, 90, 90
R / Rfree (%)	16.4 / 18.9

The structure of Cytochrome P450 Monooxygenase From Streptomyces Scabiei (Sscacyp) also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Iron atom in the Cytochrome P450 Monooxygenase From Streptomyces Scabiei (Sscacyp) (pdb code 8q5j). 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 Cytochrome P450 Monooxygenase From Streptomyces Scabiei (Sscacyp), PDB code: 8q5j:

Iron binding site 1 out of 1 in the Cytochrome P450 Monooxygenase From Streptomyces Scabiei (Sscacyp)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome P450 Monooxygenase From Streptomyces Scabiei (Sscacyp) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:15.4 occ:1.00 FE A:HEM401 0.0 15.4 1.0 ND A:HEM401 2.0 14.0 1.0 NA A:HEM401 2.0 14.1 1.0 NB A:HEM401 2.1 13.3 1.0 NC A:HEM401 2.1 13.7 1.0 SG A:CYS349 2.2 18.4 1.0 O A:HOH662 2.6 34.6 1.0 C1D A:HEM401 3.0 15.3 1.0 C4B A:HEM401 3.0 15.5 1.0 C4D A:HEM401 3.0 14.4 1.0 C1B A:HEM401 3.0 14.6 1.0 C4C A:HEM401 3.1 14.3 1.0 C4A A:HEM401 3.1 15.0 1.0 C1A A:HEM401 3.1 14.6 1.0 C1C A:HEM401 3.1 15.2 1.0 CB A:CYS349 3.3 16.2 1.0 CHD A:HEM401 3.4 13.6 1.0 CHC A:HEM401 3.4 15.4 1.0 CHA A:HEM401 3.5 15.8 1.0 CHB A:HEM401 3.5 15.2 1.0 CA A:CYS349 3.9 16.5 1.0 O A:HOH752 4.2 37.8 1.0 C2B A:HEM401 4.2 15.1 1.0 C3B A:HEM401 4.2 15.1 1.0 C3C A:HEM401 4.2 15.2 1.0 C2D A:HEM401 4.3 15.7 1.0 C3A A:HEM401 4.3 14.9 1.0 C2C A:HEM401 4.3 14.7 1.0 C3D A:HEM401 4.3 14.7 1.0 C2A A:HEM401 4.3 16.3 1.0 N A:ALA350 4.6 16.3 1.0 N A:GLY351 4.6 16.0 1.0 C A:CYS349 4.6 17.9 1.0 OD2 A:ASP241 4.7 45.5 1.0 CB A:VAL237 4.8 18.1 1.0 CG1 A:VAL237 4.9 20.2 1.0

A.C.Ebrecht, M.S.Smit, D.J.Opperman. Natural Alternative Heme-Environments Allow Efficient Peroxygenase Activity By Cytochrome P450 Monooxygenases Catalysis Science and V. 13 6264 2023TECHNOLOGY.
ISSN: ESSN 2044-4761
DOI: 10.1039/D3CY01207G