Iron in PDB 1h3j: Structure of Recombinant Coprinus Cinereus Peroxidase Determined to 2.0 A

All present enzymatic activity of Structure of Recombinant Coprinus Cinereus Peroxidase Determined to 2.0 A:
1.11.1.7;

The structure of Structure of Recombinant Coprinus Cinereus Peroxidase Determined to 2.0 A, PDB code: 1h3j was solved by J.F.W.Petersen, K.Houborg, P.Harris, S.Larsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	127.180, 75.530, 76.600, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 25.6

The structure of Structure of Recombinant Coprinus Cinereus Peroxidase Determined to 2.0 A also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Calcium	(Ca)	4 atoms

The binding sites of Iron atom in the Structure of Recombinant Coprinus Cinereus Peroxidase Determined to 2.0 A (pdb code 1h3j). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Recombinant Coprinus Cinereus Peroxidase Determined to 2.0 A, PDB code: 1h3j:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Recombinant Coprinus Cinereus Peroxidase Determined to 2.0 A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Recombinant Coprinus Cinereus Peroxidase Determined to 2.0 A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:13.5 occ:1.00 FE A:HEM401 0.0 13.5 1.0 ND A:HEM401 2.0 12.8 1.0 NA A:HEM401 2.0 12.1 1.0 NB A:HEM401 2.0 7.4 1.0 NC A:HEM401 2.1 9.6 1.0 NE2 A:HSO183 2.2 9.6 1.0 O A:HOH629 2.4 7.3 1.0 C4A A:HEM401 3.0 10.4 1.0 C1D A:HEM401 3.0 9.5 1.0 C4D A:HEM401 3.0 13.2 1.0 C1B A:HEM401 3.0 7.0 1.0 C4C A:HEM401 3.1 7.0 1.0 C1A A:HEM401 3.1 11.9 1.0 C4B A:HEM401 3.1 7.7 1.0 C1C A:HEM401 3.2 7.6 1.0 CE1 A:HSO183 3.2 12.1 1.0 CD2 A:HSO183 3.2 12.5 1.0 CHB A:HEM401 3.4 8.7 1.0 CHD A:HEM401 3.4 8.9 1.0 CHA A:HEM401 3.5 13.4 1.0 CHC A:HEM401 3.6 7.4 1.0 C3A A:HEM401 4.2 11.2 1.0 C2D A:HEM401 4.2 10.0 1.0 C3D A:HEM401 4.2 11.0 1.0 C2A A:HEM401 4.2 11.7 1.0 C2B A:HEM401 4.3 8.1 1.0 C3B A:HEM401 4.3 9.2 1.0 ND1 A:HSO183 4.4 12.7 1.0 CG A:HSO183 4.4 11.8 1.0 C3C A:HEM401 4.4 6.5 1.0 C2C A:HEM401 4.4 9.0 1.0 O A:HOH675 4.8 12.1 1.0 CG A:ARG51 5.0 16.4 1.0

Iron binding site 2 out of 2 in the Structure of Recombinant Coprinus Cinereus Peroxidase Determined to 2.0 A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Recombinant Coprinus Cinereus Peroxidase Determined to 2.0 A within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:12.9 occ:1.00 FE B:HEM401 0.0 12.9 1.0 ND B:HEM401 1.9 11.5 1.0 NA B:HEM401 2.0 11.3 1.0 NC B:HEM401 2.0 9.1 1.0 NB B:HEM401 2.0 6.2 1.0 NE2 B:HSO183 2.2 8.2 1.0 O B:HOH629 2.3 7.8 1.0 C4A B:HEM401 3.0 8.8 1.0 C1D B:HEM401 3.0 9.8 1.0 C1B B:HEM401 3.0 6.8 1.0 CE1 B:HSO183 3.0 9.8 1.0 C4C B:HEM401 3.0 6.8 1.0 C4D B:HEM401 3.0 10.8 1.0 C1C B:HEM401 3.1 8.4 1.0 C4B B:HEM401 3.1 8.1 1.0 C1A B:HEM401 3.1 10.2 1.0 CD2 B:HSO183 3.2 9.1 1.0 CHB B:HEM401 3.3 6.3 1.0 CHD B:HEM401 3.4 7.4 1.0 CHC B:HEM401 3.5 7.7 1.0 CHA B:HEM401 3.5 9.2 1.0 C2D B:HEM401 4.2 10.0 1.0 C3D B:HEM401 4.2 10.0 1.0 C2B B:HEM401 4.2 8.2 1.0 ND1 B:HSO183 4.2 10.6 1.0 C3A B:HEM401 4.2 7.5 1.0 C3B B:HEM401 4.3 6.9 1.0 C2A B:HEM401 4.3 10.0 1.0 C3C B:HEM401 4.3 7.4 1.0 C2C B:HEM401 4.3 6.3 1.0 CG B:HSO183 4.3 8.2 1.0 O B:HOH591 4.4 26.2 1.0 CG B:ARG51 4.9 14.0 1.0 O B:HOH637 4.9 13.4 1.0

K.Houborg, P.Harris, J.F.W.Petersen, P.Rowland, J.Poulsen, P.Schneider, J.Vind, S.Larsen. Impact of the Physical and Chemical Environment on the Molecular Structure of Coprinus Cinereus Peroxidase Acta Crystallogr.,Sect.D V. 59 989 2003.
ISSN: ISSN 0907-4449
PubMed: 12777760
DOI: 10.1107/S0907444903006772