Iron in PDB 8fkb: X-Ray Crystal Structure of CYP124A1 From Mycobacterium Marinum Bound to Farnesol

The structure of X-Ray Crystal Structure of CYP124A1 From Mycobacterium Marinum Bound to Farnesol, PDB code: 8fkb was solved by A.Ghith, J.B.Bruning, S.G.Bell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.02 / 1.42
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.456, 72.425, 65.505, 90, 109.56, 90
R / Rfree (%)	18.3 / 20

The binding sites of Iron atom in the X-Ray Crystal Structure of CYP124A1 From Mycobacterium Marinum Bound to Farnesol (pdb code 8fkb). 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 X-Ray Crystal Structure of CYP124A1 From Mycobacterium Marinum Bound to Farnesol, PDB code: 8fkb:

Iron binding site 1 out of 1 in the X-Ray Crystal Structure of CYP124A1 From Mycobacterium Marinum Bound to Farnesol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Crystal Structure of CYP124A1 From Mycobacterium Marinum Bound to Farnesol within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe506 b:18.4 occ:1.00 FE A:HEM506 0.0 18.4 1.0 NC A:HEM506 2.0 17.5 1.0 NB A:HEM506 2.0 16.9 1.0 ND A:HEM506 2.0 17.6 1.0 NA A:HEM506 2.0 17.7 1.0 O A:HOH601 2.3 28.3 0.7 SG A:CYS379 2.3 19.4 1.0 C1C A:HEM506 3.0 18.0 1.0 C1B A:HEM506 3.0 14.9 1.0 C4C A:HEM506 3.1 19.5 1.0 C1D A:HEM506 3.1 17.1 1.0 C4B A:HEM506 3.1 16.9 1.0 C4A A:HEM506 3.1 17.4 1.0 C1A A:HEM506 3.1 19.1 1.0 C4D A:HEM506 3.1 18.6 1.0 CB A:CYS379 3.3 19.1 1.0 CHC A:HEM506 3.4 16.0 1.0 CHD A:HEM506 3.4 18.2 1.0 CHB A:HEM506 3.4 17.9 1.0 CHA A:HEM506 3.5 17.3 1.0 CA A:CYS379 4.0 16.7 1.0 O A:ALA267 4.0 20.7 1.0 C2C A:HEM506 4.2 19.8 1.0 C3C A:HEM506 4.3 19.5 1.0 C2B A:HEM506 4.3 15.5 1.0 C3B A:HEM506 4.3 17.5 1.0 C3A A:HEM506 4.3 17.8 1.0 C2A A:HEM506 4.3 18.0 1.0 C2D A:HEM506 4.3 18.0 1.0 C3D A:HEM506 4.3 18.1 1.0 C3 A:FOF505 4.4 27.9 1.0 C A:CYS379 4.6 18.6 1.0 N A:LEU380 4.6 18.7 1.0 N A:GLY381 4.7 18.5 1.0 C A:ALA267 4.8 22.8 1.0 CB A:ALA267 4.9 28.0 1.0

A.Ghith, J.B.Bruning, S.G.Bell. The Catalytic Activity and Structure of the Lipid Metabolizing CYP124 Cytochrome P450 Enzyme From Mycobacterium Marinum. Arch.Biochem.Biophys. V. 737 09554 2023.
ISSN: ESSN 1096-0384
PubMed: 36842492
DOI: 10.1016/J.ABB.2023.109554