Iron in PDB 4kq8: Structure of Recombinant Human Cytochrome P450 Aromatase

All present enzymatic activity of Structure of Recombinant Human Cytochrome P450 Aromatase:
1.14.14.1;

The structure of Structure of Recombinant Human Cytochrome P450 Aromatase, PDB code: 4kq8 was solved by D.Ghosh, G.Di Nardo, J.Griswold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 3.29
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	140.821, 140.821, 116.477, 90.00, 90.00, 120.00
R / Rfree (%)	21.6 / 24.8

The binding sites of Iron atom in the Structure of Recombinant Human Cytochrome P450 Aromatase (pdb code 4kq8). 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 Recombinant Human Cytochrome P450 Aromatase, PDB code: 4kq8:

Iron binding site 1 out of 1 in the Structure of Recombinant Human Cytochrome P450 Aromatase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Recombinant Human Cytochrome P450 Aromatase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:53.1 occ:1.00 FE A:HEM601 0.0 53.1 1.0 NB A:HEM601 2.0 53.3 1.0 NC A:HEM601 2.0 52.3 1.0 NA A:HEM601 2.0 52.8 1.0 ND A:HEM601 2.1 52.4 1.0 SG A:CYS437 2.4 66.3 1.0 C1B A:HEM601 3.0 53.6 1.0 C4A A:HEM601 3.0 53.1 1.0 C4C A:HEM601 3.0 52.0 1.0 C1C A:HEM601 3.1 52.5 1.0 C4B A:HEM601 3.1 53.9 1.0 C1A A:HEM601 3.1 53.2 1.0 C1D A:HEM601 3.1 52.0 1.0 C4D A:HEM601 3.1 52.7 1.0 CB A:CYS437 3.3 67.0 1.0 CHB A:HEM601 3.4 52.7 1.0 CHD A:HEM601 3.4 52.0 1.0 CHC A:HEM601 3.4 52.9 1.0 CHA A:HEM601 3.5 53.0 1.0 C19 A:ASD602 3.7 63.5 1.0 CA A:CYS437 4.0 67.2 1.0 C2B A:HEM601 4.2 54.7 1.0 C3A A:HEM601 4.3 53.6 1.0 C3C A:HEM601 4.3 52.0 1.0 C2C A:HEM601 4.3 52.3 1.0 C3B A:HEM601 4.3 55.0 1.0 C2A A:HEM601 4.3 53.9 1.0 C2D A:HEM601 4.3 51.6 1.0 C3D A:HEM601 4.4 52.5 1.0 N A:ALA438 4.7 67.6 1.0 C A:CYS437 4.7 67.3 1.0 N A:GLY439 4.8 69.1 1.0 C1 A:ASD602 4.9 64.7 1.0 C10 A:ASD602 5.0 64.2 1.0

J.Lo, G.Di Nardo, J.Griswold, C.Egbuta, W.Jiang, G.Gilardi, D.Ghosh. Structural Basis For the Functional Roles of Critical Residues in Human Cytochrome P450 Aromatase. Biochemistry V. 52 5821 2013.
ISSN: ISSN 0006-2960
PubMed: 23899247
DOI: 10.1021/BI400669H