Iron in PDB 2zby: Crystal Structure of Vitamin D Hydroxylase Cytochrome P450 105A1 (R84A Mutant)

All present enzymatic activity of Crystal Structure of Vitamin D Hydroxylase Cytochrome P450 105A1 (R84A Mutant):
1.14.14.1;

The structure of Crystal Structure of Vitamin D Hydroxylase Cytochrome P450 105A1 (R84A Mutant), PDB code: 2zby was solved by H.Sugimoto, R.Shinkyo, K.Hayashi, S.Yoneda, M.Yamada, M.Kamakura, S.Ikushiro, Y.Shiro, T.Sakaki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.83 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.437, 53.586, 141.339, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 22.2

The binding sites of Iron atom in the Crystal Structure of Vitamin D Hydroxylase Cytochrome P450 105A1 (R84A Mutant) (pdb code 2zby). 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 Vitamin D Hydroxylase Cytochrome P450 105A1 (R84A Mutant), PDB code: 2zby:

Iron binding site 1 out of 1 in the Crystal Structure of Vitamin D Hydroxylase Cytochrome P450 105A1 (R84A Mutant)


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 Vitamin D Hydroxylase Cytochrome P450 105A1 (R84A Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe413 b:13.8 occ:1.00 FE A:HEM413 0.0 13.8 1.0 NC A:HEM413 2.0 12.8 1.0 ND A:HEM413 2.0 13.2 1.0 NA A:HEM413 2.1 14.1 1.0 NB A:HEM413 2.1 13.2 1.0 SG A:CYS355 2.4 14.1 1.0 C1C A:HEM413 3.0 13.4 1.0 C1D A:HEM413 3.0 13.3 1.0 C4C A:HEM413 3.1 13.2 1.0 C4B A:HEM413 3.1 13.3 1.0 C4D A:HEM413 3.1 14.3 1.0 C1A A:HEM413 3.1 13.9 1.0 C1B A:HEM413 3.1 12.6 1.0 C4A A:HEM413 3.1 13.4 1.0 CB A:CYS355 3.3 13.7 1.0 CHC A:HEM413 3.4 14.0 1.0 CHD A:HEM413 3.4 13.5 1.0 CHA A:HEM413 3.4 13.4 1.0 CHB A:HEM413 3.5 14.0 1.0 CA A:CYS355 4.0 13.6 1.0 C2C A:HEM413 4.2 13.5 1.0 C3C A:HEM413 4.3 14.1 1.0 C2D A:HEM413 4.3 14.4 1.0 C3B A:HEM413 4.3 13.4 1.0 C3D A:HEM413 4.3 14.5 1.0 C2B A:HEM413 4.3 13.7 1.0 C2A A:HEM413 4.3 13.6 1.0 C3A A:HEM413 4.3 13.9 1.0 C A:CYS355 4.7 13.8 1.0 N A:GLY357 4.7 12.8 1.0 N A:LEU356 4.8 13.3 1.0 CD1 A:PHE348 4.9 12.2 1.0

H.Sugimoto, R.Shinkyo, K.Hayashi, S.Yoneda, M.Yamada, M.Kamakura, S.Ikushiro, Y.Shiro, T.Sakaki. Crystal Structure of CYP105A1 (P450SU-1) in Complex with 1ALPHA,25-Dihydroxyvitamin D3 Biochemistry V. 47 4017 2008.
ISSN: ISSN 0006-2960
PubMed: 18314962
DOI: 10.1021/BI7023767