Iron in PDB 8q6z: Crystal Structure of Cytochrome P450 GYMB1 From Streptomyces Flavidovirens

The structure of Crystal Structure of Cytochrome P450 GYMB1 From Streptomyces Flavidovirens, PDB code: 8q6z was solved by J.Freytag, T.Kelm, T.Stehle, G.Zocher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.04 / 1.96
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.076, 98.076, 94.28, 90, 90, 120
R / Rfree (%)	18.5 / 21.4

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450 GYMB1 From Streptomyces Flavidovirens (pdb code 8q6z). 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 Crystal Structure of Cytochrome P450 GYMB1 From Streptomyces Flavidovirens, PDB code: 8q6z:

Iron binding site 1 out of 1 in the Crystal Structure of Cytochrome P450 GYMB1 From Streptomyces Flavidovirens


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Cytochrome P450 GYMB1 From Streptomyces Flavidovirens within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:46.0 occ:1.00 FE A:HEM401 0.0 46.0 1.0 NA A:HEM401 2.1 44.9 1.0 NC A:HEM401 2.1 46.1 1.0 NB A:HEM401 2.1 43.2 1.0 ND A:HEM401 2.1 49.7 1.0 SG A:CYS344 2.5 44.8 1.0 C4D A:HEM401 3.0 49.8 1.0 C4B A:HEM401 3.0 44.1 1.0 C1A A:HEM401 3.0 47.6 1.0 C1C A:HEM401 3.1 45.7 1.0 C1B A:HEM401 3.1 43.7 1.0 C1D A:HEM401 3.1 49.9 1.0 C4C A:HEM401 3.1 48.2 1.0 C4A A:HEM401 3.1 46.2 1.0 CHA A:HEM401 3.4 48.6 1.0 CHC A:HEM401 3.4 43.8 1.0 CHD A:HEM401 3.5 50.1 1.0 CB A:CYS344 3.5 43.9 1.0 CHB A:HEM401 3.5 44.3 1.0 CA A:CYS344 4.2 43.1 1.0 C2A A:HEM401 4.3 48.6 1.0 C2C A:HEM401 4.3 46.1 1.0 C3A A:HEM401 4.3 45.8 1.0 C2B A:HEM401 4.3 42.5 1.0 C3C A:HEM401 4.3 48.6 1.0 C3D A:HEM401 4.3 54.9 1.0 C3B A:HEM401 4.3 43.9 1.0 C2D A:HEM401 4.3 54.6 1.0 O A:HOH726 4.5 62.1 1.0 OG A:SER236 4.7 41.1 1.0 CD A:PRO345 4.8 45.8 1.0 CB A:SER236 5.0 37.9 1.0

J.Freytag, A.Martin, J.C.Muller, T.Kelm, T.Stehle, S.M.Li, G.Zocher. Intramolecular Coupling and Nucleobase Transfer - How Cytochrome P450 Enzymes Gymbx Establish Their Chemoselectivity Chemcatchem V. 16 2024.
ISSN: ESSN 1867-3899
DOI: 10.1002/CCTC.202481002