Iron in PDB 1nir: Oxydized Nitrite Reductase From Pseudomonas Aeruginosa

All present enzymatic activity of Oxydized Nitrite Reductase From Pseudomonas Aeruginosa:
1.9.3.2;

The structure of Oxydized Nitrite Reductase From Pseudomonas Aeruginosa, PDB code: 1nir was solved by D.Nurizzo, M.Tegoni, C.Cambillau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.15
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	163.068, 90.072, 111.888, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 24.2

The structure of Oxydized Nitrite Reductase From Pseudomonas Aeruginosa also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Iron atom in the Oxydized Nitrite Reductase From Pseudomonas Aeruginosa (pdb code 1nir). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Oxydized Nitrite Reductase From Pseudomonas Aeruginosa, PDB code: 1nir:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Oxydized Nitrite Reductase 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 Oxydized Nitrite Reductase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:29.9 occ:1.00 FE A:HEC601 0.0 29.9 1.0 NA A:HEC601 1.9 27.0 1.0 NB A:HEC601 1.9 30.5 1.0 NC A:HEC601 2.0 29.1 1.0 ND A:HEC601 2.0 31.9 1.0 NE2 A:HIS51 2.1 32.1 1.0 SD A:MET88 2.3 30.4 1.0 C1A A:HEC601 3.0 26.4 1.0 C1B A:HEC601 3.0 29.5 1.0 C4B A:HEC601 3.0 30.4 1.0 C4A A:HEC601 3.0 27.0 1.0 C4D A:HEC601 3.0 28.4 1.0 CE1 A:HIS51 3.0 34.9 1.0 C1C A:HEC601 3.0 28.8 1.0 C4C A:HEC601 3.1 29.4 1.0 CD2 A:HIS51 3.1 31.5 1.0 C1D A:HEC601 3.1 31.9 1.0 CHA A:HEC601 3.4 26.1 1.0 CHB A:HEC601 3.4 29.3 1.0 CHC A:HEC601 3.4 24.2 1.0 CE A:MET88 3.5 17.9 1.0 CHD A:HEC601 3.5 30.0 1.0 CG A:MET88 3.7 28.5 1.0 ND1 A:HIS51 4.2 32.5 1.0 C3B A:HEC601 4.2 31.8 1.0 C2B A:HEC601 4.2 27.4 1.0 CG A:HIS51 4.2 32.1 1.0 C2A A:HEC601 4.2 26.2 1.0 C3A A:HEC601 4.2 24.1 1.0 CB A:MET88 4.2 30.9 1.0 C3D A:HEC601 4.3 30.7 1.0 C3C A:HEC601 4.3 26.1 1.0 C2C A:HEC601 4.3 27.9 1.0 C2D A:HEC601 4.3 28.4 1.0 CA A:MET88 4.7 34.1 1.0 CD1 A:LEU63 5.0 24.9 1.0

Iron binding site 2 out of 4 in the Oxydized Nitrite Reductase 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 Oxydized Nitrite Reductase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:29.6 occ:1.00 FE A:DHE602 0.0 29.6 1.0 NE2 A:HIS182 2.0 28.9 1.0 O A:OH603 2.1 36.4 1.0 NB A:DHE602 2.1 27.7 1.0 NA A:DHE602 2.1 27.1 1.0 ND A:DHE602 2.1 27.8 1.0 NC A:DHE602 2.1 31.5 1.0 CD2 A:HIS182 2.9 27.0 1.0 CE1 A:HIS182 3.0 28.4 1.0 C1B A:DHE602 3.0 28.4 1.0 C1C A:DHE602 3.0 29.6 1.0 C4B A:DHE602 3.1 28.2 1.0 C4A A:DHE602 3.1 26.6 1.0 C4C A:DHE602 3.1 30.8 1.0 C1D A:DHE602 3.1 28.0 1.0 C4D A:DHE602 3.1 29.1 1.0 C1A A:DHE602 3.1 26.0 1.0 CHC A:DHE602 3.4 32.7 1.0 CHB A:DHE602 3.4 22.1 1.0 CHD A:DHE602 3.4 29.9 1.0 CHA A:DHE602 3.4 23.2 1.0 CG A:HIS182 4.1 26.8 1.0 ND1 A:HIS182 4.1 24.8 1.0 OH B:TYR10 4.2 51.8 1.0 C2D A:DHE602 4.3 29.7 1.0 C3D A:DHE602 4.3 27.0 1.0 C3A A:DHE602 4.3 30.9 1.0 C2A A:DHE602 4.3 26.5 1.0 C2B A:DHE602 4.3 30.9 1.0 C2C A:DHE602 4.3 28.1 1.0 C3B A:DHE602 4.4 30.4 1.0 C3C A:DHE602 4.4 29.6 1.0 O2C A:DHE602 4.8 33.7 1.0 O A:HOH612 4.8 30.7 1.0 CE1 B:TYR10 4.9 47.2 1.0 O2B A:DHE602 5.0 25.1 1.0 CE1 A:HIS327 5.0 25.1 1.0

Iron binding site 3 out of 4 in the Oxydized Nitrite Reductase From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Oxydized Nitrite Reductase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:32.0 occ:1.00 FE B:HEC601 0.0 32.0 1.0 NA B:HEC601 2.0 31.8 1.0 NC B:HEC601 2.0 29.3 1.0 NB B:HEC601 2.0 29.7 1.0 ND B:HEC601 2.0 31.3 1.0 NE2 B:HIS51 2.1 34.3 1.0 SD B:MET88 2.3 33.1 1.0 C4C B:HEC601 3.0 31.0 1.0 C4A B:HEC601 3.0 31.8 1.0 CE1 B:HIS51 3.0 30.4 1.0 C1A B:HEC601 3.0 32.3 1.0 C1C B:HEC601 3.0 28.2 1.0 C1B B:HEC601 3.0 29.1 1.0 C4D B:HEC601 3.0 32.1 1.0 C1D B:HEC601 3.0 30.0 1.0 C4B B:HEC601 3.0 30.5 1.0 CD2 B:HIS51 3.1 31.1 1.0 CHB B:HEC601 3.4 29.4 1.0 CHD B:HEC601 3.4 30.7 1.0 CHA B:HEC601 3.4 31.8 1.0 CHC B:HEC601 3.4 24.6 1.0 CE B:MET88 3.5 30.2 1.0 CG B:MET88 3.6 31.0 1.0 ND1 B:HIS51 4.1 31.1 1.0 CB B:MET88 4.2 32.4 1.0 CG B:HIS51 4.2 32.0 1.0 C2A B:HEC601 4.2 29.9 1.0 C3A B:HEC601 4.3 29.3 1.0 C3C B:HEC601 4.3 32.9 1.0 C2C B:HEC601 4.3 31.8 1.0 C2B B:HEC601 4.3 29.0 1.0 C2D B:HEC601 4.3 29.9 1.0 C3B B:HEC601 4.3 28.8 1.0 C3D B:HEC601 4.3 31.7 1.0 CA B:MET88 4.7 35.4 1.0

Iron binding site 4 out of 4 in the Oxydized Nitrite Reductase From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Oxydized Nitrite Reductase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe602 b:30.2 occ:1.00 FE B:DHE602 0.0 30.2 1.0 NE2 B:HIS182 2.0 27.5 1.0 O B:OH603 2.0 39.9 1.0 NB B:DHE602 2.1 28.9 1.0 NA B:DHE602 2.1 30.1 1.0 ND B:DHE602 2.1 29.3 1.0 NC B:DHE602 2.1 32.2 1.0 CD2 B:HIS182 3.0 27.1 1.0 CE1 B:HIS182 3.0 28.9 1.0 C1B B:DHE602 3.0 30.9 1.0 C1C B:DHE602 3.0 29.5 1.0 C1D B:DHE602 3.1 29.2 1.0 C4A B:DHE602 3.1 29.3 1.0 C4B B:DHE602 3.1 31.4 1.0 C4D B:DHE602 3.1 32.2 1.0 C4C B:DHE602 3.1 29.6 1.0 C1A B:DHE602 3.1 31.2 1.0 CHC B:DHE602 3.4 30.2 1.0 CHB B:DHE602 3.4 27.8 1.0 CHD B:DHE602 3.4 27.6 1.0 CHA B:DHE602 3.4 29.2 1.0 OH A:TYR10 4.1 49.2 1.0 ND1 B:HIS182 4.1 27.1 1.0 CG B:HIS182 4.1 30.0 1.0 C3D B:DHE602 4.3 29.4 1.0 C2D B:DHE602 4.3 27.9 1.0 C2A B:DHE602 4.3 30.7 1.0 C3A B:DHE602 4.3 33.0 1.0 C2B B:DHE602 4.3 28.2 1.0 C2C B:DHE602 4.3 30.4 1.0 C3B B:DHE602 4.4 29.1 1.0 C3C B:DHE602 4.4 31.6 1.0 O B:HOH659 4.8 29.2 1.0 O2C B:DHE602 4.8 30.9 1.0 CE1 A:TYR10 4.8 45.9 1.0 O2B B:DHE602 4.9 31.4 1.0 CZ A:TYR10 4.9 45.9 1.0

D.Nurizzo, M.C.Silvestrini, M.Mathieu, F.Cutruzzola, D.Bourgeois, V.Fulop, J.Hajdu, M.Brunori, M.Tegoni, C.Cambillau. N-Terminal Arm Exchange Is Observed in the 2.15 A Crystal Structure of Oxidized Nitrite Reductase From Pseudomonas Aeruginosa. Structure V. 5 1157 1997.
ISSN: ISSN 0969-2126
PubMed: 9331415
DOI: 10.1016/S0969-2126(97)00267-0