Iron in PDB 2wgy: Crystal Structure of the G243A Mutant of CYP130 From M. Tuberculosis

The structure of Crystal Structure of the G243A Mutant of CYP130 From M. Tuberculosis, PDB code: 2wgy was solved by L.M.Podust, H.Ouellet, J.P.Von Kries, P.R.Ortiz De Montellano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	79.65 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	160.243, 54.093, 43.718, 90.00, 96.21, 90.00
R / Rfree (%)	18.3 / 21.3

The binding sites of Iron atom in the Crystal Structure of the G243A Mutant of CYP130 From M. Tuberculosis (pdb code 2wgy). 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 Crystal Structure of the G243A Mutant of CYP130 From M. Tuberculosis, PDB code: 2wgy:

Iron binding site 1 out of 1 in the Crystal Structure of the G243A Mutant of CYP130 From M. Tuberculosis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the G243A Mutant of CYP130 From M. Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe450 b:9.1 occ:1.00 FE A:HEM450 0.0 9.1 1.0 NA A:HEM450 2.0 8.9 1.0 NB A:HEM450 2.0 8.3 1.0 ND A:HEM450 2.1 8.9 1.0 NC A:HEM450 2.1 8.8 1.0 O A:HOH2216 2.2 17.6 1.0 SG A:CYS354 2.3 9.1 1.0 C1B A:HEM450 3.0 8.2 1.0 C4A A:HEM450 3.1 8.6 1.0 C4B A:HEM450 3.1 7.7 1.0 C4D A:HEM450 3.1 9.0 1.0 C1A A:HEM450 3.1 8.5 1.0 C1C A:HEM450 3.1 8.0 1.0 C1D A:HEM450 3.1 9.1 1.0 C4C A:HEM450 3.1 8.9 1.0 CB A:CYS354 3.3 8.7 1.0 CHB A:HEM450 3.4 9.1 1.0 CHA A:HEM450 3.4 9.1 1.0 CHC A:HEM450 3.4 8.2 1.0 CHD A:HEM450 3.5 10.2 1.0 CA A:CYS354 4.1 8.2 1.0 O A:ALA243 4.1 10.0 1.0 C2B A:HEM450 4.3 8.9 1.0 C3B A:HEM450 4.3 9.1 1.0 C3A A:HEM450 4.3 8.7 1.0 C2A A:HEM450 4.3 10.2 1.0 C3D A:HEM450 4.3 9.6 1.0 C2C A:HEM450 4.3 7.6 1.0 C2D A:HEM450 4.3 9.7 1.0 C3C A:HEM450 4.3 8.2 1.0 CB A:ALA243 4.5 10.6 1.0 N A:GLY356 4.7 9.1 1.0 C A:CYS354 4.7 9.0 1.0 C A:ALA243 4.8 9.8 1.0 N A:LEU355 4.8 9.7 1.0

L.M.Podust, H.Ouellet, J.P.Von Kries, P.R.De Montellano. Interaction of Mycobacterium Tuberculosis CYP130 with Heterocyclic Arylamines. J. Biol. Chem. V. 284 25211 2009.
ISSN: ESSN 1083-351X
PubMed: 19605350
DOI: 10.1074/JBC.M109.017632