Iron in PDB 7tef: Cytochrome P450 14 Alpha-Sterol Demethylase CYP51 From Mycobacterium Marinum

The structure of Cytochrome P450 14 Alpha-Sterol Demethylase CYP51 From Mycobacterium Marinum, PDB code: 7tef was solved by H.A.Mohamed, J.B.Bruning, S.G.Bell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.28 / 1.98
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.934, 73.112, 89.706, 90, 90, 90
R / Rfree (%)	17.2 / 21.3

The binding sites of Iron atom in the Cytochrome P450 14 Alpha-Sterol Demethylase CYP51 From Mycobacterium Marinum (pdb code 7tef). 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 14 Alpha-Sterol Demethylase CYP51 From Mycobacterium Marinum, PDB code: 7tef:

Iron binding site 1 out of 1 in the Cytochrome P450 14 Alpha-Sterol Demethylase CYP51 From Mycobacterium Marinum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome P450 14 Alpha-Sterol Demethylase CYP51 From Mycobacterium Marinum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:17.6 occ:1.00 FE A:HEM501 0.0 17.6 1.0 NA A:HEM501 2.0 18.6 1.0 ND A:HEM501 2.1 19.2 1.0 NC A:HEM501 2.1 14.1 1.0 NB A:HEM501 2.1 15.8 1.0 SG A:CYS394 2.4 18.2 1.0 O A:HOH753 2.5 18.8 1.0 C4A A:HEM501 3.0 16.9 1.0 C1D A:HEM501 3.0 21.0 1.0 C4C A:HEM501 3.0 19.5 1.0 C1B A:HEM501 3.0 15.4 1.0 C1A A:HEM501 3.1 19.2 1.0 C1C A:HEM501 3.1 15.6 1.0 C4D A:HEM501 3.1 21.0 1.0 C4B A:HEM501 3.1 16.8 1.0 CB A:CYS394 3.4 14.4 1.0 CHB A:HEM501 3.4 15.8 1.0 CHD A:HEM501 3.4 14.9 1.0 CHA A:HEM501 3.5 20.2 1.0 CHC A:HEM501 3.5 19.4 1.0 CA A:CYS394 4.1 21.5 1.0 O A:ALA256 4.1 24.2 1.0 C3A A:HEM501 4.2 18.6 1.0 C2A A:HEM501 4.3 17.0 1.0 C2B A:HEM501 4.3 15.2 1.0 C3C A:HEM501 4.3 17.3 1.0 C2D A:HEM501 4.3 22.3 1.0 C2C A:HEM501 4.3 17.0 1.0 C3B A:HEM501 4.3 16.4 1.0 C3D A:HEM501 4.3 24.3 1.0 O1 A:BTB502 4.5 27.7 1.0 N A:GLY396 4.8 20.4 1.0 C A:CYS394 4.8 22.1 1.0 CB A:ALA256 4.8 19.5 1.0 N A:VAL395 4.9 20.9 1.0 C A:ALA256 5.0 18.3 1.0

H.Mohamed, S.A.Child, J.B.Bruning, S.G.Bell. A Comparison of the Bacterial CYP51 Cytochrome P450 Enzymes From Mycobacterium Marinum and Mycobacterium Tuberculosis. J.Steroid Biochem.Mol.Biol. V. 221 06097 2022.
ISSN: ISSN 0960-0760
PubMed: 35346833
DOI: 10.1016/J.JSBMB.2022.106097