Iron in PDB 2a9e: Helicobacter Pylori Catalase Compound I

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

The structure of Helicobacter Pylori Catalase Compound I, PDB code: 2a9e 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 / 1.76
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 (%)	13.7 / 17.8

The binding sites of Iron atom in the Helicobacter Pylori Catalase Compound I (pdb code 2a9e). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Helicobacter Pylori Catalase Compound I, PDB code: 2a9e:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the 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 Helicobacter Pylori Catalase Compound I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe550 b:3.9 occ:1.00 FE A:HEM550 0.0 3.9 1.0 O A:O551 1.8 16.9 1.0 OH A:TYR339 1.9 6.9 1.0 ND A:HEM550 1.9 2.0 1.0 NB A:HEM550 2.0 4.7 1.0 NA A:HEM550 2.1 2.0 1.0 NC A:HEM550 2.1 3.8 1.0 CZ A:TYR339 2.9 4.0 1.0 C4D A:HEM550 2.9 3.0 1.0 C1D A:HEM550 3.0 3.0 1.0 C4B A:HEM550 3.0 5.9 1.0 C1A A:HEM550 3.0 2.1 1.0 C1B A:HEM550 3.1 2.0 1.0 C4C A:HEM550 3.1 6.1 1.0 C4A A:HEM550 3.1 5.1 1.0 C1C A:HEM550 3.1 7.0 1.0 CHD A:HEM550 3.4 3.5 1.0 CHA A:HEM550 3.4 3.1 1.0 CHC A:HEM550 3.4 8.5 1.0 CHB A:HEM550 3.4 4.3 1.0 CE1 A:TYR339 3.7 8.0 1.0 CE2 A:TYR339 3.8 10.8 1.0 NE A:ARG335 4.1 6.8 1.0 C3D A:HEM550 4.2 2.0 1.0 O A:HOH1319 4.2 9.9 1.0 NH2 A:ARG335 4.2 7.9 1.0 C3B A:HEM550 4.2 2.0 1.0 C2D A:HEM550 4.2 2.0 1.0 C2B A:HEM550 4.3 2.7 1.0 C2A A:HEM550 4.3 2.0 1.0 C3C A:HEM550 4.3 5.6 1.0 C3A A:HEM550 4.3 5.4 1.0 CZ A:PHE142 4.3 8.2 1.0 C2C A:HEM550 4.4 7.1 1.0 NE2 A:HIS56 4.5 8.3 1.0 CG2 A:VAL55 4.6 6.4 1.0 CZ A:ARG335 4.6 6.6 1.0 CD2 A:HIS56 4.6 6.0 1.0 CE1 A:PHE142 4.8 6.5 1.0 CE2 A:PHE142 4.9 11.1 1.0 CD1 A:TYR339 5.0 6.4 1.0

Iron binding site 2 out of 2 in the 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 Helicobacter Pylori Catalase Compound I within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe550 b:2.1 occ:1.00 FE B:HEM550 0.0 2.1 1.0 O B:O551 1.9 10.5 1.0 OH B:TYR339 2.0 7.6 1.0 ND B:HEM550 2.0 2.0 1.0 NB B:HEM550 2.0 2.0 1.0 NC B:HEM550 2.1 3.3 1.0 NA B:HEM550 2.1 2.0 1.0 CZ B:TYR339 3.0 7.8 1.0 C1D B:HEM550 3.0 2.9 1.0 C4C B:HEM550 3.0 4.9 1.0 C1B B:HEM550 3.0 2.0 1.0 C4B B:HEM550 3.0 3.5 1.0 C4D B:HEM550 3.0 2.5 1.0 C4A B:HEM550 3.1 2.0 1.0 C1A B:HEM550 3.1 2.0 1.0 C1C B:HEM550 3.2 8.1 1.0 CHD B:HEM550 3.3 2.0 1.0 CHB B:HEM550 3.4 2.0 1.0 CHC B:HEM550 3.4 6.1 1.0 CHA B:HEM550 3.5 2.0 1.0 CE1 B:TYR339 3.7 7.3 1.0 CE2 B:TYR339 3.8 7.7 1.0 O B:HOH959 4.1 12.0 1.0 NE B:ARG335 4.1 7.1 1.0 NH2 B:ARG335 4.2 7.0 1.0 C3B B:HEM550 4.2 2.0 1.0 CZ B:PHE142 4.3 7.6 1.0 C2D B:HEM550 4.3 2.4 1.0 C2B B:HEM550 4.3 2.0 1.0 C3A B:HEM550 4.3 2.0 1.0 C3C B:HEM550 4.3 8.9 1.0 C3D B:HEM550 4.3 2.0 1.0 C2A B:HEM550 4.3 2.0 1.0 C2C B:HEM550 4.4 6.8 1.0 NE2 B:HIS56 4.5 7.8 1.0 CG2 B:VAL55 4.6 4.4 1.0 CZ B:ARG335 4.6 6.4 1.0 CD2 B:HIS56 4.7 7.2 1.0 CE1 B:PHE142 4.7 5.7 1.0 CE2 B:PHE142 4.8 10.1 1.0 CD1 B:TYR339 5.0 4.5 1.0

P.C.Loewen, X.Carpena, I.Fita. Helicobacter Pylori Catalase Compound I To Be Published.