Iron in PDB 2iqf: Crystal Structure of Helicobacter Pylori Catalase Compound I

All present enzymatic activity of Crystal Structure of Helicobacter Pylori Catalase Compound I:
1.11.1.6;

The structure of Crystal Structure of Helicobacter Pylori Catalase Compound I, PDB code: 2iqf was solved by P.C.Loewen, X.Carpena, I.Fita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.00 / 1.86
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	64.385, 154.286, 95.808, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 18.8

The binding sites of Iron atom in the Crystal Structure of Helicobacter Pylori Catalase Compound I (pdb code 2iqf). 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 Helicobacter Pylori Catalase Compound I, PDB code: 2iqf:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Helicobacter Pylori Catalase Compound I


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 Helicobacter Pylori Catalase Compound I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe550 b:14.6 occ:1.00 FE A:HEM550 0.0 14.6 1.0 O A:O551 1.8 16.9 0.6 OH A:TYR339 1.9 13.4 1.0 ND A:HEM550 2.0 12.2 1.0 NB A:HEM550 2.1 13.9 1.0 NA A:HEM550 2.1 13.0 1.0 NC A:HEM550 2.1 16.5 1.0 CZ A:TYR339 3.0 11.4 1.0 C1D A:HEM550 3.0 12.8 1.0 C4D A:HEM550 3.0 13.7 1.0 C4C A:HEM550 3.1 16.5 1.0 C1B A:HEM550 3.1 13.0 1.0 C4B A:HEM550 3.1 15.3 1.0 C4A A:HEM550 3.1 13.7 1.0 C1A A:HEM550 3.1 12.6 1.0 C1C A:HEM550 3.2 16.1 1.0 CHD A:HEM550 3.4 14.2 1.0 CHB A:HEM550 3.4 13.4 1.0 CHA A:HEM550 3.4 12.7 1.0 CHC A:HEM550 3.5 17.1 1.0 CE1 A:TYR339 3.8 11.8 1.0 CE2 A:TYR339 3.8 13.3 1.0 O A:HOH1321 4.0 22.0 1.0 NE A:ARG335 4.2 12.7 1.0 C3D A:HEM550 4.2 9.9 1.0 C2D A:HEM550 4.3 11.3 1.0 C3B A:HEM550 4.3 14.3 1.0 NH2 A:ARG335 4.3 13.9 1.0 C2B A:HEM550 4.3 13.6 1.0 C2A A:HEM550 4.3 13.2 1.0 C3A A:HEM550 4.3 13.1 1.0 C3C A:HEM550 4.3 17.4 1.0 CZ A:PHE142 4.3 15.3 1.0 C2C A:HEM550 4.4 17.1 1.0 CG2 A:VAL55 4.6 8.9 1.0 NE2 A:HIS56 4.6 11.9 1.0 CD2 A:HIS56 4.6 12.5 1.0 CZ A:ARG335 4.7 13.7 1.0 CE1 A:PHE142 4.8 14.1 1.0 CE2 A:PHE142 4.9 16.5 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Helicobacter Pylori Catalase Compound I


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 Helicobacter Pylori Catalase Compound I within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe550 b:11.5 occ:1.00 FE B:HEM550 0.0 11.5 1.0 O B:O551 1.8 13.5 0.6 OH B:TYR339 1.9 11.8 1.0 ND B:HEM550 2.1 10.6 1.0 NC B:HEM550 2.1 12.7 1.0 NB B:HEM550 2.1 9.4 1.0 NA B:HEM550 2.1 10.1 1.0 CZ B:TYR339 3.0 9.9 1.0 C4C B:HEM550 3.0 14.7 1.0 C1D B:HEM550 3.0 11.5 1.0 C1B B:HEM550 3.1 11.4 1.0 C4A B:HEM550 3.1 10.6 1.0 C4D B:HEM550 3.1 12.3 1.0 C4B B:HEM550 3.1 14.0 1.0 C1A B:HEM550 3.1 10.7 1.0 C1C B:HEM550 3.1 15.1 1.0 CHD B:HEM550 3.4 11.3 1.0 CHB B:HEM550 3.4 10.8 1.0 CHA B:HEM550 3.4 9.1 1.0 CHC B:HEM550 3.5 14.2 1.0 CE1 B:TYR339 3.7 8.8 1.0 CE2 B:TYR339 3.8 9.5 1.0 O B:HOH957 4.1 22.7 1.0 NE B:ARG335 4.2 10.9 1.0 NH2 B:ARG335 4.2 10.3 1.0 CZ B:PHE142 4.3 10.2 1.0 C2B B:HEM550 4.3 13.7 1.0 C3B B:HEM550 4.3 14.0 1.0 C3C B:HEM550 4.3 16.3 1.0 C3A B:HEM550 4.3 10.9 1.0 C2D B:HEM550 4.3 9.7 1.0 C2A B:HEM550 4.3 9.6 1.0 C3D B:HEM550 4.3 10.1 1.0 C2C B:HEM550 4.3 15.7 1.0 NE2 B:HIS56 4.5 12.0 1.0 CG2 B:VAL55 4.6 5.9 1.0 CZ B:ARG335 4.6 12.5 1.0 CD2 B:HIS56 4.7 9.0 1.0 CE1 B:PHE142 4.8 9.2 1.0 CE2 B:PHE142 4.8 12.5 1.0

M.Alfonso-Prieto, A.Borovik, X.Carpena, G.Murshudov, W.Melik-Adamyan, I.Fita, C.Rovira, P.C.Loewen. The Structures and Electronic Configuration of Compound I Intermediates of Helicobacter Pylori and Penicillium Vitale Catalases Determined By X-Ray Crystallography and Qm/Mm Density Functional Theory Calculations. J.Am.Chem.Soc. V. 129 4193 2007.
ISSN: ISSN 0002-7863
PubMed: 17358056
DOI: 10.1021/JA063660Y