Iron in PDB 3cv8: Crystal Structure of Vitamin D Hydroxylase Cytochrome P450 105A1 (R84F Mutant)

All present enzymatic activity of Crystal Structure of Vitamin D Hydroxylase Cytochrome P450 105A1 (R84F Mutant):
1.14.14.1;

The structure of Crystal Structure of Vitamin D Hydroxylase Cytochrome P450 105A1 (R84F Mutant), PDB code: 3cv8 was solved by K.Hayashi, H.Sugimoto, R.Shinkyo, M.Yamada, S.Ikeda, S.Ikushiro, M.Kamakura, Y.Shiro, T.Sakaki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.500, 53.384, 138.970, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 23

The binding sites of Iron atom in the Crystal Structure of Vitamin D Hydroxylase Cytochrome P450 105A1 (R84F Mutant) (pdb code 3cv8). 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 (R84F Mutant), PDB code: 3cv8:

Iron binding site 1 out of 1 in the Crystal Structure of Vitamin D Hydroxylase Cytochrome P450 105A1 (R84F 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 (R84F Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe413 b:9.5 occ:1.00 FE A:HEM413 0.0 9.5 1.0 NB A:HEM413 2.1 9.5 1.0 NC A:HEM413 2.1 9.2 1.0 ND A:HEM413 2.1 9.9 1.0 NA A:HEM413 2.1 9.6 1.0 SG A:CYS355 2.3 10.0 1.0 C1C A:HEM413 3.1 10.9 1.0 C4B A:HEM413 3.1 10.1 1.0 C1B A:HEM413 3.1 9.6 1.0 C4D A:HEM413 3.1 11.3 1.0 C4C A:HEM413 3.1 10.8 1.0 C1D A:HEM413 3.1 11.9 1.0 C4A A:HEM413 3.1 8.2 1.0 C1A A:HEM413 3.1 8.9 1.0 CB A:CYS355 3.3 8.6 1.0 CHC A:HEM413 3.4 10.5 1.0 CHB A:HEM413 3.5 9.2 1.0 CHA A:HEM413 3.5 8.9 1.0 CHD A:HEM413 3.5 11.6 1.0 CA A:CYS355 4.0 9.1 1.0 C2B A:HEM413 4.3 8.2 1.0 C2C A:HEM413 4.3 10.7 1.0 C3B A:HEM413 4.3 10.4 1.0 C3C A:HEM413 4.3 10.6 1.0 C3D A:HEM413 4.3 10.7 1.0 C2A A:HEM413 4.3 9.0 1.0 C2D A:HEM413 4.3 10.4 1.0 C3A A:HEM413 4.3 7.2 1.0 C A:CYS355 4.7 9.1 1.0 N A:LEU356 4.7 9.0 1.0 O A:HOH815 4.7 39.3 1.0 N A:GLY357 4.7 8.0 1.0 CD1 A:PHE348 5.0 6.1 1.0

K.Hayashi, H.Sugimoto, R.Shinkyo, M.Yamada, S.Ikeda, S.Ikushiro, M.Kamakura, Y.Shiro, T.Sakaki. Structure-Based Design of A Highly Active Vitamin D Hydroxylase From Streptomyces Griseolus CYP105A1 Biochemistry V. 47 11964 2008.
ISSN: ISSN 0006-2960
PubMed: 18937506
DOI: 10.1021/BI801222D