Iron in PDB 5whs: Crystal Structure of the Catalase-Peroxidase From Neurospora Crassa at 2.6 A

All present enzymatic activity of Crystal Structure of the Catalase-Peroxidase From Neurospora Crassa at 2.6 A:
1.11.1.21;

The structure of Crystal Structure of the Catalase-Peroxidase From Neurospora Crassa at 2.6 A, PDB code: 5whs was solved by A.Diaz-Vilchis, V.Vega-Garcia, E.Rudino-Pinera, W.Hansberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	112.38 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.810, 142.350, 183.110, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.4

The binding sites of Iron atom in the Crystal Structure of the Catalase-Peroxidase From Neurospora Crassa at 2.6 A (pdb code 5whs). 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 Catalase-Peroxidase From Neurospora Crassa at 2.6 A, PDB code: 5whs:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Catalase-Peroxidase From Neurospora Crassa at 2.6 A


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 Catalase-Peroxidase From Neurospora Crassa at 2.6 A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe800 b:24.4 occ:1.00 FE A:HEM800 0.0 24.4 1.0 NE2 A:HIS279 1.7 27.9 1.0 ND A:HEM800 1.9 23.5 1.0 NA A:HEM800 2.0 24.4 1.0 NC A:HEM800 2.0 23.9 1.0 NB A:HEM800 2.1 23.8 1.0 CD2 A:HIS279 2.7 25.6 1.0 CE1 A:HIS279 2.8 28.5 1.0 O2 A:TOX90 2.9 33.8 1.0 C4D A:HEM800 2.9 23.4 1.0 C1D A:HEM800 2.9 23.5 1.0 C1A A:HEM800 3.0 24.1 1.0 C4C A:HEM800 3.0 23.8 1.0 C4B A:HEM800 3.0 24.3 1.0 C1B A:HEM800 3.0 23.7 1.0 C4A A:HEM800 3.0 23.1 1.0 C1C A:HEM800 3.1 23.5 1.0 CHA A:HEM800 3.3 24.2 1.0 CHD A:HEM800 3.4 23.9 1.0 CHB A:HEM800 3.5 23.5 1.0 CHC A:HEM800 3.5 24.4 1.0 O1 A:TOX90 3.6 28.6 1.0 CG A:HIS279 3.8 25.4 1.0 ND1 A:HIS279 3.9 26.1 1.0 C3D A:HEM800 4.1 25.3 1.0 C2D A:HEM800 4.1 24.6 1.0 C2A A:HEM800 4.2 24.2 1.0 C3A A:HEM800 4.2 23.2 1.0 C3C A:HEM800 4.2 22.8 1.0 C2C A:HEM800 4.3 23.4 1.0 NE1 A:TOX90 4.3 24.6 1.0 C2B A:HEM800 4.3 24.4 1.0 C3B A:HEM800 4.3 25.8 1.0 O A:HOH1069 4.3 15.2 1.0 CD1 A:TOX90 4.5 24.2 1.0 O A:HOH908 4.7 29.1 1.0 CH2 A:TRP330 4.9 22.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Catalase-Peroxidase From Neurospora Crassa at 2.6 A


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 Catalase-Peroxidase From Neurospora Crassa at 2.6 A within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe800 b:16.5 occ:1.00 FE B:HEM800 0.0 16.5 1.0 NE2 B:HIS279 1.7 19.1 1.0 ND B:HEM800 1.9 17.5 1.0 NA B:HEM800 2.0 17.8 1.0 NC B:HEM800 2.1 17.8 1.0 NB B:HEM800 2.1 19.1 1.0 CD2 B:HIS279 2.6 17.4 1.0 CE1 B:HIS279 2.8 19.2 1.0 O2 B:TOX90 2.9 23.0 1.0 C4D B:HEM800 2.9 17.6 1.0 C1D B:HEM800 2.9 16.8 1.0 C1A B:HEM800 3.0 18.5 1.0 C1B B:HEM800 3.0 19.0 1.0 C4C B:HEM800 3.0 17.9 1.0 C4A B:HEM800 3.0 18.2 1.0 C4B B:HEM800 3.0 19.4 1.0 C1C B:HEM800 3.1 18.9 1.0 CHA B:HEM800 3.3 18.5 1.0 CHD B:HEM800 3.4 17.1 1.0 CHB B:HEM800 3.5 18.9 1.0 CHC B:HEM800 3.5 20.6 1.0 O1 B:TOX90 3.6 19.2 1.0 CG B:HIS279 3.8 18.2 1.0 ND1 B:HIS279 3.8 18.5 1.0 C3D B:HEM800 4.1 18.4 1.0 C2D B:HEM800 4.1 18.2 1.0 C2A B:HEM800 4.2 18.9 1.0 C3A B:HEM800 4.2 18.1 1.0 C3C B:HEM800 4.2 17.7 1.0 NE1 B:TOX90 4.2 16.7 1.0 C2B B:HEM800 4.3 19.5 1.0 C2C B:HEM800 4.3 18.2 1.0 C3B B:HEM800 4.3 19.4 1.0 CD1 B:TOX90 4.5 15.6 1.0 O B:HOH906 4.5 38.3 1.0 O B:HOH1112 4.7 9.1 1.0 CH2 B:TRP330 5.0 16.1 1.0

V.Vega-Garcia, A.Diaz-Vilchis, J.P.Saucedo-Vazquez, A.Solano-Peralta, E.Rudino-Pinera, W.Hansberg. Structure, Kinetics, Molecular and Redox Properties of A Cytosolic and Developmentally Regulated Fungal Catalase-Peroxidase. Arch. Biochem. Biophys. V. 640 17 2018.
ISSN: ESSN 1096-0384
PubMed: 29305053
DOI: 10.1016/J.ABB.2017.12.021