Iron in PDB 1itk: Crystal Structure of Catalase-Peroxidase From Haloarcula Marismortui

All present enzymatic activity of Crystal Structure of Catalase-Peroxidase From Haloarcula Marismortui:
1.11.1.6;

The structure of Crystal Structure of Catalase-Peroxidase From Haloarcula Marismortui, PDB code: 1itk was solved by Y.Yamada, T.Fujiwara, T.Sato, N.Igarashi, N.Tanaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.10 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	317.632, 82.141, 75.102, 90.00, 100.24, 90.00
R / Rfree (%)	18.2 / 20.3

The structure of Crystal Structure of Catalase-Peroxidase From Haloarcula Marismortui also contains other interesting chemical elements:

Chlorine

(Cl)

16 atoms

The binding sites of Iron atom in the Crystal Structure of Catalase-Peroxidase From Haloarcula Marismortui (pdb code 1itk). 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 Catalase-Peroxidase From Haloarcula Marismortui, PDB code: 1itk:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Catalase-Peroxidase From Haloarcula Marismortui


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 Catalase-Peroxidase From Haloarcula Marismortui within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe800 b:14.5 occ:1.00 FE A:HEM800 0.0 14.5 1.0 ND A:HEM800 2.1 14.3 1.0 NE2 A:HIS259 2.2 11.3 1.0 NB A:HEM800 2.2 12.9 1.0 NC A:HEM800 2.2 11.6 1.0 NA A:HEM800 2.2 13.1 1.0 O A:HOH2645 2.5 39.1 1.0 CD2 A:HIS259 3.1 11.2 1.0 C1C A:HEM800 3.1 12.6 1.0 C4D A:HEM800 3.1 14.4 1.0 C1B A:HEM800 3.2 14.5 1.0 C1A A:HEM800 3.2 15.0 1.0 C4B A:HEM800 3.2 13.5 1.0 C4A A:HEM800 3.2 16.2 1.0 C4C A:HEM800 3.2 12.2 1.0 C1D A:HEM800 3.2 13.6 1.0 CHD A:HEM800 3.2 11.3 1.0 CE1 A:HIS259 3.2 11.5 1.0 CHA A:HEM800 3.2 12.0 1.0 CHC A:HEM800 3.2 12.7 1.0 CHB A:HEM800 3.2 13.3 1.0 O A:HOH2450 4.2 33.7 1.0 CG A:HIS259 4.3 10.9 1.0 ND1 A:HIS259 4.3 12.1 1.0 C3C A:HEM800 4.3 10.9 1.0 C3D A:HEM800 4.4 13.1 1.0 NE1 A:TRP95 4.4 14.6 1.0 C2C A:HEM800 4.4 11.6 1.0 C2A A:HEM800 4.4 15.2 1.0 C3B A:HEM800 4.4 12.8 1.0 C2B A:HEM800 4.5 13.8 1.0 C3A A:HEM800 4.5 14.5 1.0 C2D A:HEM800 4.5 13.9 1.0 CD1 A:TRP95 4.6 14.8 1.0 CH2 A:TRP311 4.7 10.1 1.0 O A:HOH2345 4.8 24.2 1.0 CZ2 A:TRP311 4.8 12.1 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Catalase-Peroxidase From Haloarcula Marismortui


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 Catalase-Peroxidase From Haloarcula Marismortui within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe800 b:23.6 occ:1.00 FE B:HEM800 0.0 23.6 1.0 ND B:HEM800 2.1 21.7 1.0 NB B:HEM800 2.2 22.9 1.0 NA B:HEM800 2.2 22.5 1.0 NC B:HEM800 2.2 20.9 1.0 NE2 B:HIS259 2.3 24.3 1.0 C4D B:HEM800 3.1 23.0 1.0 CD2 B:HIS259 3.1 24.9 1.0 C1D B:HEM800 3.1 21.8 1.0 CHA B:HEM800 3.1 22.6 1.0 C1A B:HEM800 3.2 23.5 1.0 CHC B:HEM800 3.2 22.9 1.0 C4B B:HEM800 3.2 24.6 1.0 C4A B:HEM800 3.2 24.4 1.0 C1B B:HEM800 3.2 24.7 1.0 CHD B:HEM800 3.2 20.6 1.0 C4C B:HEM800 3.2 21.7 1.0 C1C B:HEM800 3.2 21.1 1.0 CHB B:HEM800 3.3 23.6 1.0 CE1 B:HIS259 3.4 25.6 1.0 C3D B:HEM800 4.3 22.6 1.0 O B:HOH2567 4.3 42.9 1.0 CG B:HIS259 4.3 25.1 1.0 NE1 B:TRP95 4.4 21.4 1.0 C3B B:HEM800 4.4 23.5 1.0 C2A B:HEM800 4.4 22.6 1.0 C2D B:HEM800 4.4 21.8 1.0 C3A B:HEM800 4.4 24.3 1.0 ND1 B:HIS259 4.4 25.6 1.0 C2C B:HEM800 4.5 20.9 1.0 C3C B:HEM800 4.5 22.1 1.0 C2B B:HEM800 4.5 24.1 1.0 CH2 B:TRP311 4.6 24.7 1.0 CD1 B:TRP95 4.6 21.6 1.0 CZ2 B:TRP311 4.8 25.7 1.0

Y.Yamada, T.Fujiwara, T.Sato, N.Igarashi, N.Tanaka. The 2.0 A Crystal Structure of Catalase-Peroxidase From Haloarcula Marismortui. Nat.Struct.Biol. V. 9 691 2002.
ISSN: ISSN 1072-8368
PubMed: 12172540
DOI: 10.1038/NSB834