Iron in PDB 5ksg: Crystal Structure of the W153F Variant of Catalase-Peroxidase From B. Pseudomallei Treated with Isoniazid

All present enzymatic activity of Crystal Structure of the W153F Variant of Catalase-Peroxidase From B. Pseudomallei Treated with Isoniazid:
1.11.1.21;

The structure of Crystal Structure of the W153F Variant of Catalase-Peroxidase From B. Pseudomallei Treated with Isoniazid, PDB code: 5ksg was solved by P.C.Loewen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	96.54 / 1.62
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	100.665, 115.928, 174.349, 90.00, 90.00, 90.00
R / Rfree (%)	13.5 / 15.9

The structure of Crystal Structure of the W153F Variant of Catalase-Peroxidase From B. Pseudomallei Treated with Isoniazid also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Iron atom in the Crystal Structure of the W153F Variant of Catalase-Peroxidase From B. Pseudomallei Treated with Isoniazid (pdb code 5ksg). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the W153F Variant of Catalase-Peroxidase From B. Pseudomallei Treated with Isoniazid, PDB code: 5ksg:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the W153F Variant of Catalase-Peroxidase From B. Pseudomallei Treated with Isoniazid


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 W153F Variant of Catalase-Peroxidase From B. Pseudomallei Treated with Isoniazid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:13.7 occ:1.00 FE A:HEM801 0.0 13.7 1.0 ND A:HEM801 2.0 13.4 1.0 NA A:HEM801 2.0 13.7 1.0 NB A:HEM801 2.0 12.8 1.0 NC A:HEM801 2.0 11.4 1.0 NE2 A:HIS279 2.1 14.5 1.0 O A:HOH907 2.4 23.1 1.0 C4A A:HEM801 3.0 14.2 1.0 C4B A:HEM801 3.0 12.1 1.0 C1C A:HEM801 3.0 13.0 1.0 C1A A:HEM801 3.0 13.0 1.0 C1D A:HEM801 3.1 10.8 1.0 C4D A:HEM801 3.1 12.5 1.0 CE1 A:HIS279 3.1 14.5 1.0 C4C A:HEM801 3.1 11.4 1.0 C1B A:HEM801 3.1 13.0 1.0 CD2 A:HIS279 3.1 13.6 1.0 CHC A:HEM801 3.4 11.8 1.0 CHA A:HEM801 3.4 13.3 1.0 CHD A:HEM801 3.4 10.5 1.0 CHB A:HEM801 3.4 13.5 1.0 O2 A:OXY805 3.9 24.8 0.7 ND1 A:HIS279 4.2 15.2 1.0 C3C A:HEM801 4.2 12.1 1.0 CG A:HIS279 4.3 13.1 1.0 C2A A:HEM801 4.3 14.1 1.0 C3D A:HEM801 4.3 12.9 1.0 C3A A:HEM801 4.3 13.1 1.0 C2C A:HEM801 4.3 11.4 1.0 C2D A:HEM801 4.3 11.6 1.0 C2B A:HEM801 4.3 13.8 1.0 C3B A:HEM801 4.3 13.0 1.0 NE1 A:TRP111 4.4 13.8 1.0 O1 A:OXY805 4.5 19.8 0.7 O1 A:OXY804 4.6 24.5 1.0 CD1 A:TRP111 4.6 12.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the W153F Variant of Catalase-Peroxidase From B. Pseudomallei Treated with Isoniazid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the W153F Variant of Catalase-Peroxidase From B. Pseudomallei Treated with Isoniazid within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe801 b:13.3 occ:1.00 FE B:HEM801 0.0 13.3 1.0 NA B:HEM801 2.0 13.7 1.0 NC B:HEM801 2.0 12.4 1.0 ND B:HEM801 2.0 12.5 1.0 NB B:HEM801 2.1 12.2 1.0 NE2 B:HIS279 2.1 15.1 1.0 O B:HOH910 2.4 24.5 1.0 C1A B:HEM801 3.0 12.7 1.0 C4A B:HEM801 3.0 13.3 1.0 C4D B:HEM801 3.0 12.7 1.0 C1C B:HEM801 3.0 12.7 1.0 C4B B:HEM801 3.1 13.0 1.0 C4C B:HEM801 3.1 12.1 1.0 C1D B:HEM801 3.1 11.5 1.0 CE1 B:HIS279 3.1 13.1 1.0 C1B B:HEM801 3.1 13.1 1.0 CD2 B:HIS279 3.1 13.1 1.0 CHD B:HEM801 3.4 11.6 1.0 CHC B:HEM801 3.4 12.7 1.0 CHA B:HEM801 3.4 12.4 1.0 CHB B:HEM801 3.5 13.6 1.0 O2 B:OXY805 3.9 26.7 0.7 ND1 B:HIS279 4.2 14.0 1.0 C3D B:HEM801 4.2 12.7 1.0 C2A B:HEM801 4.3 13.0 1.0 C3B B:HEM801 4.3 14.1 1.0 CG B:HIS279 4.3 12.5 1.0 C2B B:HEM801 4.3 13.9 1.0 C3C B:HEM801 4.3 11.9 1.0 C2D B:HEM801 4.3 12.2 1.0 C3A B:HEM801 4.3 12.9 1.0 C2C B:HEM801 4.3 12.0 1.0 NE1 B:TRP111 4.3 13.3 1.0 O1 B:OXY805 4.5 21.1 0.7 CD1 B:TRP111 4.6 12.6 1.0 O1 B:OXY804 4.7 21.5 1.0

P.C.Loewen, P.C.Loewen. N/A N/A.