Iron in PDB 6a15: Structure of CYP90B1 in Complex with Cholesterol

The structure of Structure of CYP90B1 in Complex with Cholesterol, PDB code: 6a15 was solved by K.Fujiyama, T.Hino, M.Kanadani, M.Mizutani, S.Nagano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.52 / 1.79
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.818, 80.574, 83.031, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 18.7

The structure of Structure of CYP90B1 in Complex with Cholesterol also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the Structure of CYP90B1 in Complex with Cholesterol (pdb code 6a15). 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 Structure of CYP90B1 in Complex with Cholesterol, PDB code: 6a15:

Iron binding site 1 out of 1 in the Structure of CYP90B1 in Complex with Cholesterol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of CYP90B1 in Complex with Cholesterol within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:13.3 occ:1.00 FE A:HEM601 0.0 13.3 1.0 NB A:HEM601 2.0 10.1 1.0 NA A:HEM601 2.0 11.7 1.0 NC A:HEM601 2.0 12.2 1.0 ND A:HEM601 2.1 10.7 1.0 SG A:CYS462 2.4 13.7 1.0 C4B A:HEM601 3.0 12.0 1.0 C1D A:HEM601 3.0 14.6 1.0 C1A A:HEM601 3.1 11.6 1.0 C1C A:HEM601 3.1 13.7 1.0 C1B A:HEM601 3.1 12.1 1.0 C4A A:HEM601 3.1 10.2 1.0 C4C A:HEM601 3.1 11.4 1.0 C4D A:HEM601 3.1 14.0 1.0 CHC A:HEM601 3.4 15.9 1.0 CHD A:HEM601 3.4 13.5 1.0 CHB A:HEM601 3.4 13.8 1.0 CB A:CYS462 3.5 12.4 1.0 CHA A:HEM601 3.5 14.1 1.0 C22 A:CLR602 4.1 14.5 1.0 CA A:CYS462 4.1 14.6 1.0 C3B A:HEM601 4.3 11.8 1.0 C2D A:HEM601 4.3 13.7 1.0 C2A A:HEM601 4.3 11.2 1.0 C3A A:HEM601 4.3 11.9 1.0 C3D A:HEM601 4.3 15.0 1.0 C3C A:HEM601 4.3 13.5 1.0 C2C A:HEM601 4.3 13.5 1.0 C2B A:HEM601 4.3 13.1 1.0 HHC A:HEM601 4.4 19.1 1.0 HHD A:HEM601 4.4 16.2 1.0 HHB A:HEM601 4.4 16.6 1.0 HHA A:HEM601 4.4 16.9 1.0 N A:GLY464 4.7 12.9 1.0 C A:CYS462 4.8 13.5 1.0 N A:ALA463 4.8 13.4 1.0 C20 A:CLR602 4.9 13.5 1.0 CG2 A:THR315 5.0 17.1 1.0

K.Fujiyama, T.Hino, M.Kanadani, B.Watanabe, H.Jae Lee, M.Mizutani, S.Nagano. Structural Insights Into A Key Step of Brassinosteroid Biosynthesis and Its Inhibition. Nat.Plants V. 5 589 2019.
ISSN: ESSN 2055-0278
PubMed: 31182839
DOI: 10.1038/S41477-019-0436-6