Iron in PDB 3s79: Human Placental Aromatase Cytochrome P450 (CYP19A1) Refined at 2.75 Angstrom

All present enzymatic activity of Human Placental Aromatase Cytochrome P450 (CYP19A1) Refined at 2.75 Angstrom:
1.14.14.1;

The structure of Human Placental Aromatase Cytochrome P450 (CYP19A1) Refined at 2.75 Angstrom, PDB code: 3s79 was solved by D.Ghosh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	121.27 / 2.75
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	140.218, 140.218, 119.271, 90.00, 90.00, 120.00
R / Rfree (%)	22 / 23.6

The binding sites of Iron atom in the Human Placental Aromatase Cytochrome P450 (CYP19A1) Refined at 2.75 Angstrom (pdb code 3s79). 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 Placental Aromatase Cytochrome P450 (CYP19A1) Refined at 2.75 Angstrom, PDB code: 3s79:

Iron binding site 1 out of 1 in the Human Placental Aromatase Cytochrome P450 (CYP19A1) Refined at 2.75 Angstrom


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Placental Aromatase Cytochrome P450 (CYP19A1) Refined at 2.75 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe600 b:47.1 occ:1.00 FE A:HEM600 0.0 47.1 1.0 NB A:HEM600 2.0 45.7 1.0 NC A:HEM600 2.0 45.4 1.0 NA A:HEM600 2.0 44.7 1.0 ND A:HEM600 2.1 45.4 1.0 SG A:CYS437 2.4 53.8 1.0 C4B A:HEM600 3.0 46.7 1.0 C1C A:HEM600 3.0 46.0 1.0 C1A A:HEM600 3.0 45.3 1.0 C4A A:HEM600 3.1 45.7 1.0 C1B A:HEM600 3.1 45.5 1.0 C4C A:HEM600 3.1 46.5 1.0 C4D A:HEM600 3.1 46.2 1.0 C1D A:HEM600 3.1 46.1 1.0 CHC A:HEM600 3.4 46.3 1.0 CHA A:HEM600 3.4 45.7 1.0 CHB A:HEM600 3.4 45.8 1.0 CHD A:HEM600 3.5 45.8 1.0 CB A:CYS437 3.5 54.9 1.0 C19 A:ASD601 3.9 47.1 1.0 C3B A:HEM600 4.2 47.0 1.0 CA A:CYS437 4.2 55.0 1.0 C2B A:HEM600 4.3 46.4 1.0 C2A A:HEM600 4.3 46.0 1.0 C2C A:HEM600 4.3 46.7 1.0 C3A A:HEM600 4.3 45.3 1.0 C3C A:HEM600 4.3 47.1 1.0 C3D A:HEM600 4.3 46.8 1.0 C2D A:HEM600 4.4 46.5 1.0 N A:GLY439 4.7 56.5 1.0 N A:ALA438 4.8 55.7 1.0 C1 A:ASD601 4.8 47.8 1.0 C A:CYS437 4.9 55.4 1.0 C2 A:ASD601 5.0 48.4 1.0

D.Ghosh, J.Lo, D.Morton, D.Valette, J.Xi, J.Griswold, S.Hubbell, C.Egbuta, W.Jiang, J.An, H.M.Davies. Novel Aromatase Inhibitors By Structure-Guided Design. J.Med.Chem. V. 55 8464 2012.
ISSN: ISSN 0022-2623
PubMed: 22951074
DOI: 10.1021/JM300930N