Iron in PDB 7e7f: Human CYP11B1 Mutant in Complex with Metyrapone

All present enzymatic activity of Human CYP11B1 Mutant in Complex with Metyrapone:
1.14.15.4;

The structure of Human CYP11B1 Mutant in Complex with Metyrapone, PDB code: 7e7f was solved by K.Mukai, H.Sugimoto, S.Reiko, T.Matsuura, T.Hishiki, N.Kagawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.02 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.18, 84.6, 85.61, 90, 90, 90
R / Rfree (%)	14 / 16.3

The binding sites of Iron atom in the Human CYP11B1 Mutant in Complex with Metyrapone (pdb code 7e7f). 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 Human CYP11B1 Mutant in Complex with Metyrapone, PDB code: 7e7f:

Iron binding site 1 out of 1 in the Human CYP11B1 Mutant in Complex with Metyrapone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human CYP11B1 Mutant in Complex with Metyrapone within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:16.4 occ:1.00 FE A:HEM601 0.0 16.4 1.0 ND A:HEM601 2.0 15.9 1.0 NA A:HEM601 2.0 15.9 1.0 NC A:HEM601 2.0 15.7 1.0 NB A:HEM601 2.0 15.5 1.0 N14 A:MYT602 2.1 16.3 1.0 SG A:CYS450 2.3 16.7 1.0 C13 A:MYT602 3.0 17.4 1.0 C1D A:HEM601 3.0 15.9 1.0 C15 A:MYT602 3.0 16.4 1.0 C4D A:HEM601 3.0 15.8 1.0 C1A A:HEM601 3.0 15.6 1.0 C4B A:HEM601 3.0 16.5 1.0 C1B A:HEM601 3.0 16.2 1.0 C4C A:HEM601 3.1 16.3 1.0 C1C A:HEM601 3.1 16.8 1.0 C4A A:HEM601 3.1 16.3 1.0 CB A:CYS450 3.4 16.1 1.0 CHA A:HEM601 3.4 15.8 1.0 CHC A:HEM601 3.4 16.6 1.0 CHD A:HEM601 3.4 16.8 1.0 CHB A:HEM601 3.5 16.2 1.0 CA A:CYS450 4.1 15.3 1.0 C2A A:HEM601 4.3 16.1 1.0 C3A A:HEM601 4.3 16.2 1.0 C2C A:HEM601 4.3 17.0 1.0 C2D A:HEM601 4.3 16.4 1.0 C2B A:HEM601 4.3 16.6 1.0 C3C A:HEM601 4.3 16.3 1.0 C3D A:HEM601 4.3 16.2 1.0 C12 A:MYT602 4.3 16.7 1.0 C3B A:HEM601 4.3 16.4 1.0 C16 A:MYT602 4.3 18.2 1.0 C17 A:MYT602 4.8 18.2 1.0 C A:CYS450 4.9 16.2 1.0 N A:GLY452 4.9 16.9 1.0 N A:LEU451 4.9 16.1 1.0

K.Mukai, H.Sugimoto, K.Kamiya, R.Suzuki, T.Matsuura, T.Hishiki, H.Shimada, Y.Shiro, M.Suematsu, N.Kagawa. Spatially Restricted Substrate-Binding Site of Cortisol-Synthesizing CYP11B1 Limits Multiple Hydroxylations and Hinders Aldosterone Synthesis. Curr Res Struct Biol V. 3 192 2021.
ISSN: ESSN 2665-928X
PubMed: 34485929
DOI: 10.1016/J.CRSTBI.2021.08.001