Iron in PDB 5dqn: Polyethylene 600-Bound Form of P450 CYP125A3 Mutant From Myobacterium Smegmatis - W83Y

All present enzymatic activity of Polyethylene 600-Bound Form of P450 CYP125A3 Mutant From Myobacterium Smegmatis - W83Y:
1.14.13.151;

The structure of Polyethylene 600-Bound Form of P450 CYP125A3 Mutant From Myobacterium Smegmatis - W83Y, PDB code: 5dqn was solved by P.J.Ortiz De Montellano, D.J.Frank, C.A.Waddling, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.25 / 2.26
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	108.821, 108.821, 118.809, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 20.9

The binding sites of Iron atom in the Polyethylene 600-Bound Form of P450 CYP125A3 Mutant From Myobacterium Smegmatis - W83Y (pdb code 5dqn). 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 Polyethylene 600-Bound Form of P450 CYP125A3 Mutant From Myobacterium Smegmatis - W83Y, PDB code: 5dqn:

Iron binding site 1 out of 1 in the Polyethylene 600-Bound Form of P450 CYP125A3 Mutant From Myobacterium Smegmatis - W83Y


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Polyethylene 600-Bound Form of P450 CYP125A3 Mutant From Myobacterium Smegmatis - W83Y within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:45.3 occ:1.00 FE A:HEM501 0.0 45.3 1.0 NC A:HEM501 2.0 41.5 1.0 NB A:HEM501 2.0 44.1 1.0 NA A:HEM501 2.1 38.7 1.0 OH2 A:1PE505 2.1 91.0 1.0 ND A:HEM501 2.1 38.5 1.0 SG A:CYS360 2.3 47.6 1.0 C4C A:HEM501 3.0 39.9 1.0 C1C A:HEM501 3.1 42.7 1.0 C4A A:HEM501 3.1 43.7 1.0 C4B A:HEM501 3.1 41.1 1.0 C1B A:HEM501 3.1 40.0 1.0 C1D A:HEM501 3.1 44.2 1.0 C1A A:HEM501 3.1 43.3 1.0 C4D A:HEM501 3.1 41.7 1.0 CB A:CYS360 3.3 49.5 1.0 C12 A:1PE505 3.4 81.6 1.0 CHC A:HEM501 3.4 42.3 1.0 CHB A:HEM501 3.4 42.0 1.0 CHD A:HEM501 3.4 37.8 1.0 CHA A:HEM501 3.5 39.1 1.0 CA A:CYS360 4.1 47.0 1.0 O A:ALA251 4.1 51.0 1.0 C3C A:HEM501 4.3 43.7 1.0 C2C A:HEM501 4.3 44.9 1.0 C3A A:HEM501 4.3 39.1 1.0 C3B A:HEM501 4.3 47.5 1.0 C2B A:HEM501 4.3 40.4 1.0 C2A A:HEM501 4.3 41.8 1.0 C2D A:HEM501 4.3 44.0 1.0 C3D A:HEM501 4.4 42.5 1.0 C22 A:1PE505 4.5 89.4 1.0 CB A:ALA251 4.7 49.6 1.0 N A:GLY362 4.8 46.0 1.0 C A:CYS360 4.8 51.7 1.0 C A:ALA251 4.8 46.2 1.0 N A:ILE361 4.9 43.3 1.0

D.J.Frank, C.A.Waddling, M.La, P.R.Ortiz De Montellano. Cytochrome P450 125A4, the Third Cholesterol C-26 Hydroxylase From Mycobacterium Smegmatis. Biochemistry V. 54 6909 2015.
ISSN: ISSN 0006-2960
PubMed: 26522442
DOI: 10.1021/ACS.BIOCHEM.5B01029