Iron in PDB 5sw4: Crystal Structure of Native Catalase-Peroxidase Katg at PH8.0

All present enzymatic activity of Crystal Structure of Native Catalase-Peroxidase Katg at PH8.0:
1.11.1.21;

The structure of Crystal Structure of Native Catalase-Peroxidase Katg at PH8.0, PDB code: 5sw4 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)	20.00 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	100.778, 115.981, 174.844, 90.00, 90.00, 90.00
R / Rfree (%)	13.9 / 17.1

The structure of Crystal Structure of Native Catalase-Peroxidase Katg at PH8.0 also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Iron atom in the Crystal Structure of Native Catalase-Peroxidase Katg at PH8.0 (pdb code 5sw4). 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 Native Catalase-Peroxidase Katg at PH8.0, PDB code: 5sw4:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Native Catalase-Peroxidase Katg at PH8.0


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 Native Catalase-Peroxidase Katg at PH8.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:17.4 occ:1.00 FE A:HEM801 0.0 17.4 1.0 ND A:HEM801 2.0 17.0 1.0 NE2 A:HIS279 2.0 20.0 1.0 NA A:HEM801 2.0 16.8 1.0 NC A:HEM801 2.0 16.2 1.0 NB A:HEM801 2.1 17.7 1.0 O2 A:TOX111 2.5 31.7 0.9 C4D A:HEM801 3.0 15.4 1.0 CE1 A:HIS279 3.0 18.7 1.0 C1D A:HEM801 3.0 16.3 1.0 C1C A:HEM801 3.0 16.2 1.0 C4C A:HEM801 3.0 17.2 1.0 C4A A:HEM801 3.0 16.5 1.0 C1B A:HEM801 3.1 17.4 1.0 C1A A:HEM801 3.1 15.3 1.0 CD2 A:HIS279 3.1 18.5 1.0 C4B A:HEM801 3.1 18.6 1.0 CHA A:HEM801 3.4 16.3 1.0 CHD A:HEM801 3.4 16.3 1.0 CHB A:HEM801 3.4 17.9 1.0 CHC A:HEM801 3.4 16.9 1.0 O1 A:TOX111 3.6 32.3 1.0 O1 A:OXY803 4.0 32.0 1.0 ND1 A:HIS279 4.1 18.5 1.0 CG A:HIS279 4.2 18.0 1.0 NE1 A:TOX111 4.3 20.5 1.0 C3A A:HEM801 4.3 17.2 1.0 C2B A:HEM801 4.3 19.4 1.0 C3D A:HEM801 4.3 17.5 1.0 C2C A:HEM801 4.3 15.7 1.0 C2A A:HEM801 4.3 16.7 1.0 C3C A:HEM801 4.3 16.5 1.0 C2D A:HEM801 4.3 16.5 1.0 C3B A:HEM801 4.3 18.2 1.0 O2 A:TOX111 4.3 24.9 0.1 CD1 A:TOX111 4.5 18.7 1.0 O A:HOH985 4.9 39.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Native Catalase-Peroxidase Katg at PH8.0


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 Native Catalase-Peroxidase Katg at PH8.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe801 b:15.9 occ:1.00 FE B:HEM801 0.0 15.9 1.0 ND B:HEM801 2.0 16.3 1.0 NC B:HEM801 2.0 14.9 1.0 NE2 B:HIS279 2.0 16.1 1.0 NA B:HEM801 2.0 15.2 1.0 NB B:HEM801 2.1 15.5 1.0 O2 B:TOX111 2.5 26.2 1.0 C4B B:HEM801 3.0 15.1 1.0 C4D B:HEM801 3.0 15.1 1.0 CE1 B:HIS279 3.0 16.1 1.0 C1D B:HEM801 3.0 15.4 1.0 C1A B:HEM801 3.1 14.5 1.0 C1B B:HEM801 3.1 16.2 1.0 C1C B:HEM801 3.1 14.9 1.0 C4A B:HEM801 3.1 14.8 1.0 C4C B:HEM801 3.1 15.3 1.0 CD2 B:HIS279 3.1 17.1 1.0 CHA B:HEM801 3.4 15.1 1.0 CHB B:HEM801 3.4 16.9 1.0 CHC B:HEM801 3.4 15.8 1.0 CHD B:HEM801 3.4 15.6 1.0 O1 B:TOX111 3.6 28.4 1.0 ND1 B:HIS279 4.2 16.8 1.0 CG B:HIS279 4.2 16.6 1.0 C3D B:HEM801 4.2 16.5 1.0 C3B B:HEM801 4.3 16.8 1.0 NE1 B:TOX111 4.3 18.3 1.0 C2D B:HEM801 4.3 15.2 1.0 C2B B:HEM801 4.3 17.1 1.0 C3C B:HEM801 4.3 15.5 1.0 C2A B:HEM801 4.3 13.8 1.0 C3A B:HEM801 4.3 15.7 1.0 C2C B:HEM801 4.3 16.2 1.0 O B:HOH1400 4.4 21.4 1.0 CD1 B:TOX111 4.5 16.2 1.0

X.Carpena, B.Wiseman, T.Deemagarn, R.Singh, J.Switala, A.Ivancich, I.Fita, P.C.Loewen. A Molecular Switch and Electronic Circuit Modulate Catalase Activity in Catalase-Peroxidases. Embo Rep. V. 6 1156 2005.
ISSN: ISSN 1469-221X
PubMed: 16211084