Iron in PDB 4mf9: Crystal Structure of Holo-Phus, A Heme-Binding Protein From Pseudomonas Aeruginosa

The structure of Crystal Structure of Holo-Phus, A Heme-Binding Protein From Pseudomonas Aeruginosa, PDB code: 4mf9 was solved by M.J.Y.Lee, Z.Jia, Montreal-Kingston Bacterial Structural Genomicsinitiative (Bsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.71 / 1.95
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	187.000, 187.000, 42.600, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 23.4

The binding sites of Iron atom in the Crystal Structure of Holo-Phus, A Heme-Binding Protein From Pseudomonas Aeruginosa (pdb code 4mf9). 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 Holo-Phus, A Heme-Binding Protein From Pseudomonas Aeruginosa, PDB code: 4mf9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Holo-Phus, A Heme-Binding Protein From Pseudomonas Aeruginosa


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 Holo-Phus, A Heme-Binding Protein From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe400 b:33.9 occ:1.00 FE A:HEM400 0.0 33.9 1.0 ND A:HEM400 1.8 30.1 1.0 NA A:HEM400 2.0 29.9 1.0 NC A:HEM400 2.1 30.1 1.0 NB A:HEM400 2.1 33.2 1.0 NE2 A:HIS209 2.3 33.0 1.0 O A:HOH689 2.8 32.4 1.0 C4D A:HEM400 2.8 30.2 1.0 C1D A:HEM400 2.8 32.5 1.0 C4C A:HEM400 3.0 29.1 1.0 C1A A:HEM400 3.0 31.9 1.0 C4B A:HEM400 3.1 32.0 1.0 C1B A:HEM400 3.1 36.3 1.0 C1C A:HEM400 3.1 26.7 1.0 CE1 A:HIS209 3.1 34.5 1.0 C4A A:HEM400 3.1 31.9 1.0 CHD A:HEM400 3.3 28.8 1.0 CHA A:HEM400 3.3 28.7 1.0 CD2 A:HIS209 3.4 31.3 1.0 CHC A:HEM400 3.4 26.8 1.0 CHB A:HEM400 3.5 33.9 1.0 NE A:ARG112 4.0 23.2 1.0 C3D A:HEM400 4.1 28.5 1.0 C2D A:HEM400 4.1 30.7 1.0 C3C A:HEM400 4.1 31.9 1.0 C2C A:HEM400 4.2 29.5 1.0 C2A A:HEM400 4.2 28.0 1.0 NH2 A:ARG112 4.2 22.2 1.0 C3A A:HEM400 4.3 29.1 1.0 C2B A:HEM400 4.3 35.0 1.0 ND1 A:HIS209 4.3 34.2 1.0 C3B A:HEM400 4.3 36.8 1.0 CG A:HIS209 4.5 32.9 1.0 CZ A:ARG112 4.6 23.6 1.0 CD A:ARG112 4.9 19.6 1.0 CE2 A:PHE259 5.0 15.4 1.0 O A:HOH694 5.0 31.1 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Holo-Phus, A Heme-Binding Protein From Pseudomonas Aeruginosa


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 Holo-Phus, A Heme-Binding Protein From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe400 b:34.5 occ:1.00 FE B:HEM400 0.0 34.5 1.0 ND B:HEM400 1.9 31.4 1.0 NA B:HEM400 2.0 29.7 1.0 NC B:HEM400 2.1 30.8 1.0 NB B:HEM400 2.1 32.9 1.0 O B:HOH558 2.3 25.3 1.0 NE2 B:HIS209 2.4 30.7 1.0 C4D B:HEM400 2.8 25.6 1.0 C1D B:HEM400 2.9 32.4 1.0 C1A B:HEM400 3.0 27.6 1.0 C4C B:HEM400 3.0 30.1 1.0 C4A B:HEM400 3.1 29.5 1.0 C1B B:HEM400 3.1 32.1 1.0 C4B B:HEM400 3.1 32.7 1.0 C1C B:HEM400 3.1 30.8 1.0 CE1 B:HIS209 3.2 35.2 1.0 CHA B:HEM400 3.3 25.0 1.0 CHD B:HEM400 3.3 27.7 1.0 CHB B:HEM400 3.4 32.6 1.0 CHC B:HEM400 3.5 28.7 1.0 CD2 B:HIS209 3.5 31.6 1.0 C3D B:HEM400 4.1 24.4 1.0 C2D B:HEM400 4.1 27.3 1.0 C2A B:HEM400 4.2 24.7 1.0 C3C B:HEM400 4.2 31.7 1.0 C3A B:HEM400 4.2 26.1 1.0 C2C B:HEM400 4.2 30.6 1.0 C2B B:HEM400 4.3 31.5 1.0 NH1 B:ARG112 4.3 18.0 1.0 C3B B:HEM400 4.3 32.1 1.0 ND1 B:HIS209 4.4 36.6 1.0 CD B:ARG112 4.4 20.3 1.0 CG B:HIS209 4.6 30.9 1.0

M.J.Lee, D.Schep, B.Mclaughlin, M.Kaufmann, Z.Jia. Structural Analysis and Identification of Phus As A Heme-Degrading Enzyme From Pseudomonas Aeruginosa. J.Mol.Biol. V. 426 1936 2014.
ISSN: ISSN 0022-2836
PubMed: 24560694
DOI: 10.1016/J.JMB.2014.02.013