Iron in PDB 5jkw: Human Placental Aromatase Cytochrome P450 (CYP19A1) Complexed with Testosterone

All present enzymatic activity of Human Placental Aromatase Cytochrome P450 (CYP19A1) Complexed with Testosterone:
1.14.14.14;

The structure of Human Placental Aromatase Cytochrome P450 (CYP19A1) Complexed with Testosterone, PDB code: 5jkw was solved by D.Ghosh, C.Egbuta, J.Lo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.50 / 3.00
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	140.523, 140.523, 118.471, 90.00, 90.00, 120.00
R / Rfree (%)	19.7 / 22.2

The binding sites of Iron atom in the Human Placental Aromatase Cytochrome P450 (CYP19A1) Complexed with Testosterone (pdb code 5jkw). 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) Complexed with Testosterone, PDB code: 5jkw:

Iron binding site 1 out of 1 in the Human Placental Aromatase Cytochrome P450 (CYP19A1) Complexed with Testosterone


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) Complexed with Testosterone within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe600 b:65.6 occ:1.00 FE A:HEM600 0.0 65.6 1.0 ND A:HEM600 1.9 63.1 1.0 NA A:HEM600 2.0 59.2 1.0 NB A:HEM600 2.1 64.1 1.0 NC A:HEM600 2.1 63.8 1.0 SG A:CYS437 2.4 63.2 1.0 C1D A:HEM600 2.9 58.3 1.0 C4D A:HEM600 2.9 63.6 1.0 C1A A:HEM600 3.0 60.5 1.0 C4A A:HEM600 3.0 60.0 1.0 C4B A:HEM600 3.0 65.1 1.0 C1B A:HEM600 3.0 62.9 1.0 C4C A:HEM600 3.1 63.9 1.0 C1C A:HEM600 3.1 63.3 1.0 CHA A:HEM600 3.4 62.0 1.0 CHD A:HEM600 3.4 60.3 1.0 CHB A:HEM600 3.4 59.7 1.0 CHC A:HEM600 3.4 62.8 1.0 CB A:CYS437 3.5 66.1 1.0 C19 A:TES601 3.8 63.7 1.0 C2D A:HEM600 4.2 59.6 1.0 C2A A:HEM600 4.2 62.2 1.0 C3A A:HEM600 4.2 61.0 1.0 C3D A:HEM600 4.2 61.5 1.0 CA A:CYS437 4.2 66.6 1.0 C2B A:HEM600 4.3 63.8 1.0 C2C A:HEM600 4.3 65.9 1.0 C3C A:HEM600 4.3 66.8 1.0 C3B A:HEM600 4.3 67.0 1.0 C1 A:TES601 4.6 64.3 1.0 N A:GLY439 4.8 67.5 1.0 C2 A:TES601 4.8 63.2 1.0 C10 A:TES601 4.9 63.5 1.0 C A:CYS437 4.9 64.7 1.0 N A:ALA438 4.9 64.4 1.0

D.Ghosh, C.Egbuta, J.Lo. Testosterone Complex and Non-Steroidal Ligands of Human Aromatase. J. Steroid Biochem. Mol. 2018BIOL..
ISSN: ISSN 1879-1220
PubMed: 29476820
DOI: 10.1016/J.JSBMB.2018.02.009