Iron in PDB 1gjq: Pseudomonas Aeruginosa CD1 Nitrite Reductase Reduced Cyanide Complex

All present enzymatic activity of Pseudomonas Aeruginosa CD1 Nitrite Reductase Reduced Cyanide Complex:
1.9.3.2;

The structure of Pseudomonas Aeruginosa CD1 Nitrite Reductase Reduced Cyanide Complex, PDB code: 1gjq was solved by D.Nurizzo, K.Brown, M.Tegoni, C.Cambillau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.00 / 2.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	167.400, 88.600, 113.400, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 24.7

The binding sites of Iron atom in the Pseudomonas Aeruginosa CD1 Nitrite Reductase Reduced Cyanide Complex (pdb code 1gjq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Pseudomonas Aeruginosa CD1 Nitrite Reductase Reduced Cyanide Complex, PDB code: 1gjq:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Pseudomonas Aeruginosa CD1 Nitrite Reductase Reduced Cyanide Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Pseudomonas Aeruginosa CD1 Nitrite Reductase Reduced Cyanide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:25.1 occ:1.00 FE A:HEC601 0.0 25.1 1.0 NA A:HEC601 2.0 22.9 1.0 NC A:HEC601 2.0 26.9 1.0 ND A:HEC601 2.0 30.4 1.0 NB A:HEC601 2.0 24.6 1.0 NE2 A:HIS51 2.0 26.7 1.0 SD A:MET88 2.3 28.2 1.0 CE1 A:HIS51 2.9 27.8 1.0 C1D A:HEC601 3.0 32.6 1.0 C4C A:HEC601 3.0 26.7 1.0 C4A A:HEC601 3.0 25.1 1.0 C1B A:HEC601 3.0 27.7 1.0 C1A A:HEC601 3.0 28.7 1.0 C1C A:HEC601 3.0 26.9 1.0 C4B A:HEC601 3.1 25.1 1.0 C4D A:HEC601 3.1 31.8 1.0 CD2 A:HIS51 3.1 27.9 1.0 CHD A:HEC601 3.4 31.9 1.0 CHB A:HEC601 3.4 28.9 1.0 CHC A:HEC601 3.4 27.4 1.0 CHA A:HEC601 3.4 27.9 1.0 CE A:MET88 3.5 29.0 1.0 CG A:MET88 3.7 37.1 1.0 ND1 A:HIS51 4.1 25.9 1.0 CG A:HIS51 4.2 30.2 1.0 C3C A:HEC601 4.3 27.6 1.0 C2A A:HEC601 4.3 27.1 1.0 C3A A:HEC601 4.3 23.8 1.0 C2C A:HEC601 4.3 27.8 1.0 C2D A:HEC601 4.3 37.1 1.0 C3D A:HEC601 4.3 36.5 1.0 C3B A:HEC601 4.3 24.6 1.0 C2B A:HEC601 4.3 24.5 1.0 CB A:MET88 4.3 36.9 1.0 CA A:MET88 4.8 38.6 1.0

Iron binding site 2 out of 4 in the Pseudomonas Aeruginosa CD1 Nitrite Reductase Reduced Cyanide Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Pseudomonas Aeruginosa CD1 Nitrite Reductase Reduced Cyanide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:21.7 occ:1.00 FE A:DHE602 0.0 21.7 1.0 C A:CYN603 1.8 19.7 1.0 NE2 A:HIS182 2.0 23.6 1.0 NC A:DHE602 2.1 17.9 1.0 ND A:DHE602 2.1 19.1 1.0 NA A:DHE602 2.1 21.9 1.0 NB A:DHE602 2.1 21.2 1.0 N A:CYN603 3.0 26.5 1.0 CE1 A:HIS182 3.0 25.1 1.0 CD2 A:HIS182 3.0 22.9 1.0 C1C A:DHE602 3.0 22.1 1.0 C1B A:DHE602 3.1 21.0 1.0 C4C A:DHE602 3.1 20.8 1.0 C4A A:DHE602 3.1 20.1 1.0 C1D A:DHE602 3.1 22.3 1.0 C4D A:DHE602 3.1 20.6 1.0 C4B A:DHE602 3.1 23.8 1.0 C1A A:DHE602 3.1 19.7 1.0 CHC A:DHE602 3.4 23.3 1.0 CHB A:DHE602 3.4 22.6 1.0 CHD A:DHE602 3.4 19.7 1.0 CHA A:DHE602 3.4 18.3 1.0 ND1 A:HIS182 4.1 24.3 1.0 CG A:HIS182 4.1 22.4 1.0 C3A A:DHE602 4.3 24.1 1.0 C2D A:DHE602 4.3 22.8 1.0 C3D A:DHE602 4.3 22.8 1.0 C2A A:DHE602 4.3 21.8 1.0 C2C A:DHE602 4.3 24.1 1.0 C2B A:DHE602 4.3 22.4 1.0 C3C A:DHE602 4.4 24.3 1.0 C3B A:DHE602 4.5 23.4 1.0 O A:HOH2183 4.8 27.3 1.0 O2C A:DHE602 5.0 27.1 1.0 CE1 A:HIS327 5.0 25.5 1.0

Iron binding site 3 out of 4 in the Pseudomonas Aeruginosa CD1 Nitrite Reductase Reduced Cyanide Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Pseudomonas Aeruginosa CD1 Nitrite Reductase Reduced Cyanide Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:27.8 occ:1.00 FE B:HEC601 0.0 27.8 1.0 NA B:HEC601 2.0 19.7 1.0 ND B:HEC601 2.0 29.8 1.0 NC B:HEC601 2.0 22.4 1.0 NB B:HEC601 2.0 21.5 1.0 NE2 B:HIS51 2.0 28.7 1.0 SD B:MET88 2.3 31.3 1.0 CE1 B:HIS51 3.0 29.1 1.0 C1D B:HEC601 3.0 32.1 1.0 C4A B:HEC601 3.0 22.7 1.0 C1A B:HEC601 3.0 26.7 1.0 C4C B:HEC601 3.0 26.8 1.0 C1B B:HEC601 3.0 22.4 1.0 C4D B:HEC601 3.1 29.8 1.0 C4B B:HEC601 3.1 24.7 1.0 C1C B:HEC601 3.1 24.7 1.0 CD2 B:HIS51 3.1 33.2 1.0 CHD B:HEC601 3.4 31.4 1.0 CHB B:HEC601 3.4 23.6 1.0 CHA B:HEC601 3.4 27.6 1.0 CHC B:HEC601 3.4 25.5 1.0 CE B:MET88 3.4 26.8 1.0 CG B:MET88 3.7 32.0 1.0 ND1 B:HIS51 4.1 30.7 1.0 CG B:HIS51 4.2 33.0 1.0 C3A B:HEC601 4.3 24.3 1.0 C2A B:HEC601 4.3 27.5 1.0 C3D B:HEC601 4.3 34.4 1.0 C2D B:HEC601 4.3 34.6 1.0 C3B B:HEC601 4.3 23.6 1.0 C2B B:HEC601 4.3 23.0 1.0 C3C B:HEC601 4.3 26.5 1.0 C2C B:HEC601 4.3 24.6 1.0 CB B:MET88 4.4 33.8 1.0 CA B:MET88 5.0 34.9 1.0

Iron binding site 4 out of 4 in the Pseudomonas Aeruginosa CD1 Nitrite Reductase Reduced Cyanide Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Pseudomonas Aeruginosa CD1 Nitrite Reductase Reduced Cyanide Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe602 b:19.9 occ:1.00 FE B:DHE602 0.0 19.9 1.0 C B:CYN603 1.8 21.2 1.0 NE2 B:HIS182 2.0 22.0 1.0 ND B:DHE602 2.1 16.9 1.0 NC B:DHE602 2.1 18.3 1.0 NA B:DHE602 2.1 21.4 1.0 NB B:DHE602 2.1 21.5 1.0 N B:CYN603 3.0 25.3 1.0 CD2 B:HIS182 3.0 21.2 1.0 CE1 B:HIS182 3.0 22.6 1.0 C1C B:DHE602 3.0 21.4 1.0 C1B B:DHE602 3.1 24.8 1.0 C1D B:DHE602 3.1 17.3 1.0 C4C B:DHE602 3.1 20.0 1.0 C4A B:DHE602 3.1 19.1 1.0 C4D B:DHE602 3.1 16.5 1.0 C1A B:DHE602 3.1 17.0 1.0 C4B B:DHE602 3.1 25.6 1.0 CHC B:DHE602 3.4 25.4 1.0 CHD B:DHE602 3.4 14.1 1.0 CHB B:DHE602 3.4 23.4 1.0 CHA B:DHE602 3.4 13.5 1.0 ND1 B:HIS182 4.1 19.6 1.0 CG B:HIS182 4.1 22.3 1.0 C3A B:DHE602 4.3 22.7 1.0 C2D B:DHE602 4.3 13.3 1.0 C2A B:DHE602 4.3 20.7 1.0 C3D B:DHE602 4.3 15.3 1.0 C2C B:DHE602 4.3 22.1 1.0 C2B B:DHE602 4.3 29.1 1.0 C3C B:DHE602 4.4 23.7 1.0 C3B B:DHE602 4.5 26.1 1.0 O B:HOH2191 4.6 22.0 1.0 O2C B:DHE602 4.9 31.8 1.0 O2B B:DHE602 5.0 24.3 1.0 CE1 B:HIS327 5.0 25.8 1.0

W.Sun, M.Arese, M.Brunori, D.Nurizzo, K.Brown, C.Cambillau, M.Tegoni, F.Cutruzzola. Cyanide Binding to Cd(1) Nitrite Reductase From Pseudomonas Aeruginosa: Role of the Active-Site HIS369 in Ligand Stabilization. Biochem.Biophys.Res.Commun. V. 291 1 2002.
ISSN: ISSN 0006-291X
PubMed: 11829453
DOI: 10.1006/BBRC.2002.6391