Iron in PDB 4apy: Ethylene Glycol-Bound Form of P450 CYP125A3 From Mycobacterium Smegmatis

The structure of Ethylene Glycol-Bound Form of P450 CYP125A3 From Mycobacterium Smegmatis, PDB code: 4apy was solved by D.J.Frank, E.Garcia Fernandez, P.M.Kells, J.L.Garcia Lopez, L.M.Podust, P.R.Ortiz De Montellano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	76.50 / 2.00
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	108.188, 108.188, 120.234, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 20.6

The structure of Ethylene Glycol-Bound Form of P450 CYP125A3 From Mycobacterium Smegmatis also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the Ethylene Glycol-Bound Form of P450 CYP125A3 From Mycobacterium Smegmatis (pdb code 4apy). 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 Ethylene Glycol-Bound Form of P450 CYP125A3 From Mycobacterium Smegmatis, PDB code: 4apy:

Iron binding site 1 out of 1 in the Ethylene Glycol-Bound Form of P450 CYP125A3 From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ethylene Glycol-Bound Form of P450 CYP125A3 From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1418 b:29.0 occ:1.00 FE A:HEM1418 0.0 29.0 1.0 NC A:HEM1418 1.9 27.8 1.0 NB A:HEM1418 2.0 27.7 1.0 NA A:HEM1418 2.0 29.2 1.0 ND A:HEM1418 2.1 25.2 1.0 O2 A:EDO1423 2.3 39.3 1.0 SG A:CYS360 2.4 29.1 1.0 C1C A:HEM1418 2.9 27.8 1.0 C4B A:HEM1418 3.0 26.8 1.0 C4C A:HEM1418 3.0 29.9 1.0 C1A A:HEM1418 3.0 28.6 1.0 C4A A:HEM1418 3.0 28.2 1.0 C1B A:HEM1418 3.1 28.3 1.0 C4D A:HEM1418 3.1 26.6 1.0 C1D A:HEM1418 3.1 29.1 1.0 CHC A:HEM1418 3.3 28.1 1.0 C2 A:EDO1423 3.4 40.2 1.0 CHA A:HEM1418 3.4 24.5 1.0 CB A:CYS360 3.4 27.2 1.0 CHD A:HEM1418 3.5 27.4 1.0 CHB A:HEM1418 3.5 26.9 1.0 CA A:CYS360 4.1 28.5 1.0 C1 A:EDO1423 4.1 41.6 1.0 O A:ALA251 4.2 30.8 1.0 C2C A:HEM1418 4.2 29.6 1.0 C3C A:HEM1418 4.2 29.5 1.0 C3B A:HEM1418 4.2 24.8 1.0 C3A A:HEM1418 4.2 26.3 1.0 C2A A:HEM1418 4.3 26.0 1.0 C2B A:HEM1418 4.3 27.2 1.0 C3D A:HEM1418 4.3 25.2 1.0 C2D A:HEM1418 4.3 26.5 1.0 CB A:ALA251 4.6 30.3 1.0 C A:CYS360 4.7 30.1 1.0 N A:GLY362 4.8 31.9 1.0 C A:ALA251 4.9 30.6 1.0 N A:ILE361 4.9 29.5 1.0

E.Garcia-Fernandez, D.J.Frank, B.Galan, P.M.Kells, L.M.Podust, J.L.Garcia, P.R.Ortiz De Montellano. A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway. Environ.Microbiol. V. 15 2342 2013.
ISSN: ISSN 1462-2912
PubMed: 23489718
DOI: 10.1111/1462-2920.12108