Iron in PDB 1qwl: Structure of Helicobacter Pylori Catalase

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

The structure of Structure of Helicobacter Pylori Catalase, PDB code: 1qwl was solved by P.C.Loewen, X.Carpena, R.Perez-Luque, C.Rovira, R.Haas, S.Obenbreit, P.Nicholls, I.Fita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.00 / 1.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	64.264, 154.502, 95.762, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 22.9

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

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Helicobacter Pylori Catalase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe550 b:8.7 occ:1.00 FE A:HEM550 0.0 8.7 1.0 O1 A:OXY1600 1.3 15.8 1.0 OH A:TYR339 1.9 9.9 1.0 NA A:HEM550 2.0 7.9 1.0 ND A:HEM550 2.0 8.3 1.0 NC A:HEM550 2.1 11.1 1.0 NB A:HEM550 2.1 6.5 1.0 O2 A:OXY1600 2.3 27.6 1.0 CZ A:TYR339 2.9 10.1 1.0 C4C A:HEM550 3.0 9.9 1.0 C1D A:HEM550 3.0 9.4 1.0 C4A A:HEM550 3.0 8.3 1.0 C4D A:HEM550 3.1 9.8 1.0 C1A A:HEM550 3.1 7.9 1.0 C1B A:HEM550 3.1 8.2 1.0 C4B A:HEM550 3.1 4.6 1.0 C1C A:HEM550 3.1 11.2 1.0 CHD A:HEM550 3.4 10.3 1.0 CHB A:HEM550 3.4 7.8 1.0 CHA A:HEM550 3.5 8.0 1.0 CHC A:HEM550 3.5 11.6 1.0 CE1 A:TYR339 3.6 9.1 1.0 CE2 A:TYR339 3.8 9.8 1.0 NE A:ARG335 4.0 7.0 1.0 NH2 A:ARG335 4.1 8.9 1.0 O A:HOH2054 4.2 18.9 1.0 C3C A:HEM550 4.2 11.0 1.0 C3B A:HEM550 4.3 10.8 1.0 C3D A:HEM550 4.3 7.9 1.0 C2D A:HEM550 4.3 9.1 1.0 C3A A:HEM550 4.3 7.5 1.0 C2A A:HEM550 4.3 7.4 1.0 C2B A:HEM550 4.3 7.8 1.0 C2C A:HEM550 4.3 12.4 1.0 CZ A:PHE142 4.4 11.0 1.0 CZ A:ARG335 4.5 9.4 1.0 NE2 A:HIS56 4.6 10.2 1.0 CD2 A:HIS56 4.7 7.5 1.0 CG2 A:VAL55 4.7 4.3 1.0 CD1 A:TYR339 4.8 8.8 1.0 CE1 A:PHE142 4.9 9.0 1.0 CE2 A:PHE142 5.0 11.3 1.0 CD2 A:TYR339 5.0 7.6 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Helicobacter Pylori Catalase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe550 b:7.4 occ:1.00 FE B:HEM550 0.0 7.4 1.0 OH B:TYR339 1.8 3.4 1.0 NA B:HEM550 2.0 8.6 1.0 NC B:HEM550 2.0 10.3 1.0 ND B:HEM550 2.1 7.9 1.0 NB B:HEM550 2.1 8.3 1.0 CZ B:TYR339 2.9 6.4 1.0 C4C B:HEM550 3.0 12.2 1.0 C1D B:HEM550 3.0 9.0 1.0 C1A B:HEM550 3.1 7.4 1.0 C4A B:HEM550 3.1 5.4 1.0 C4D B:HEM550 3.1 7.4 1.0 C1C B:HEM550 3.1 12.6 1.0 C4B B:HEM550 3.1 10.9 1.0 C1B B:HEM550 3.1 8.0 1.0 CHD B:HEM550 3.4 11.3 1.0 CHC B:HEM550 3.5 12.9 1.0 CHB B:HEM550 3.5 5.7 1.0 CHA B:HEM550 3.5 5.1 1.0 CE1 B:TYR339 3.6 6.4 1.0 CE2 B:TYR339 3.8 9.4 1.0 NE B:ARG335 4.0 4.2 1.0 O B:HOH3092 4.1 15.8 1.0 NH2 B:ARG335 4.1 7.3 1.0 C3C B:HEM550 4.2 12.8 1.0 C2A B:HEM550 4.3 5.7 1.0 C3A B:HEM550 4.3 7.2 1.0 C2C B:HEM550 4.3 10.0 1.0 C3D B:HEM550 4.3 5.8 1.0 C2D B:HEM550 4.3 6.0 1.0 C3B B:HEM550 4.3 9.2 1.0 C2B B:HEM550 4.4 9.3 1.0 CZ B:PHE142 4.4 6.9 1.0 CZ B:ARG335 4.5 12.2 1.0 CG2 B:VAL55 4.6 6.4 1.0 NE2 B:HIS56 4.7 8.8 1.0 CD2 B:HIS56 4.8 7.8 1.0 CE1 B:PHE142 4.9 6.9 1.0 CE2 B:PHE142 4.9 9.0 1.0 CD1 B:TYR339 4.9 4.4 1.0

P.C.Loewen, X.Carpena, C.Rovira, A.Ivanich, R.Perez-Luque, R.Haas, S.Obenbreit, P.Nicholls, I.Fita. Structure of Helicobacter Pylori Catalase, with and Without Formic Acid Bound, at 1.6 A Resolution Biochemistry V. 43 3089 2004.
ISSN: ISSN 0006-2960
PubMed: 15023060
DOI: 10.1021/BI035663I