Iron in PDB 1qks: Cytochrome CD1 Nitrite Reductase, Oxidised Form

The structure of Cytochrome CD1 Nitrite Reductase, Oxidised Form, PDB code: 1qks was solved by V.Fulop, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.28
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	106.400, 60.600, 100.200, 90.00, 112.30, 90.00
R / Rfree (%)	18.5 / 20

The binding sites of Iron atom in the Cytochrome CD1 Nitrite Reductase, Oxidised Form (pdb code 1qks). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Cytochrome CD1 Nitrite Reductase, Oxidised Form, PDB code: 1qks:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Cytochrome CD1 Nitrite Reductase, Oxidised Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome CD1 Nitrite Reductase, Oxidised Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:7.8 occ:1.00 FE A:HEC601 0.0 7.8 1.0 NB A:HEC601 1.9 8.8 1.0 NA A:HEC601 1.9 9.8 1.0 NC A:HEC601 2.0 9.0 1.0 NE2 A:HIS69 2.0 9.3 1.0 ND A:HEC601 2.0 10.2 1.0 NE2 A:HIS17 2.0 10.1 1.0 CE1 A:HIS17 2.9 12.2 1.0 CE1 A:HIS69 2.9 9.7 1.0 C4A A:HEC601 3.0 9.6 1.0 C1A A:HEC601 3.0 10.0 1.0 C4B A:HEC601 3.0 8.8 1.0 C4D A:HEC601 3.0 11.0 1.0 C1B A:HEC601 3.0 9.1 1.0 C1C A:HEC601 3.0 9.1 1.0 C4C A:HEC601 3.0 8.7 1.0 C1D A:HEC601 3.0 10.5 1.0 CD2 A:HIS69 3.1 9.3 1.0 CD2 A:HIS17 3.1 11.6 1.0 CHA A:HEC601 3.4 10.8 1.0 CHB A:HEC601 3.4 9.9 1.0 CHC A:HEC601 3.4 8.5 1.0 CHD A:HEC601 3.4 10.0 1.0 ND1 A:HIS17 4.1 12.4 1.0 ND1 A:HIS69 4.1 9.2 1.0 CG A:HIS69 4.2 9.2 1.0 CG A:HIS17 4.2 11.7 1.0 C3A A:HEC601 4.2 10.1 1.0 C2A A:HEC601 4.2 10.8 1.0 C3B A:HEC601 4.2 9.1 1.0 C3D A:HEC601 4.3 11.4 1.0 C2B A:HEC601 4.3 9.2 1.0 C3C A:HEC601 4.3 9.2 1.0 C2C A:HEC601 4.3 8.6 1.0 C2D A:HEC601 4.3 11.7 1.0

Iron binding site 2 out of 4 in the Cytochrome CD1 Nitrite Reductase, Oxidised Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome CD1 Nitrite Reductase, Oxidised Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:6.6 occ:1.00 FE A:DHE602 0.0 6.6 1.0 OH A:TYR25 1.9 9.1 1.0 NE2 A:HIS200 2.0 7.7 1.0 NA A:DHE602 2.1 6.8 1.0 ND A:DHE602 2.1 7.4 1.0 NB A:DHE602 2.1 7.2 1.0 NC A:DHE602 2.1 6.8 1.0 CE1 A:HIS200 2.9 8.0 1.0 C1B A:DHE602 3.0 6.3 1.0 C1C A:DHE602 3.0 6.9 1.0 CZ A:TYR25 3.0 9.2 1.0 C4A A:DHE602 3.1 6.4 1.0 C1D A:DHE602 3.1 6.5 1.0 C4B A:DHE602 3.1 6.0 1.0 C4C A:DHE602 3.1 6.4 1.0 C4D A:DHE602 3.1 6.8 1.0 C1A A:DHE602 3.1 6.9 1.0 CD2 A:HIS200 3.2 7.6 1.0 CHC A:DHE602 3.4 6.7 1.0 CHB A:DHE602 3.4 7.4 1.0 CHA A:DHE602 3.4 7.4 1.0 CHD A:DHE602 3.4 7.0 1.0 CE1 A:TYR25 3.8 8.7 1.0 O A:HOH2028 3.9 10.3 1.0 CE2 A:TYR25 3.9 9.4 1.0 ND1 A:HIS200 4.1 8.6 1.0 CG A:HIS200 4.3 7.7 1.0 C2A A:DHE602 4.3 7.6 1.0 C3A A:DHE602 4.3 7.3 1.0 C2D A:DHE602 4.3 6.1 1.0 C3D A:DHE602 4.3 6.5 1.0 C2B A:DHE602 4.3 7.5 1.0 C2C A:DHE602 4.3 7.4 1.0 C3B A:DHE602 4.4 6.4 1.0 C3C A:DHE602 4.4 6.9 1.0

Iron binding site 3 out of 4 in the Cytochrome CD1 Nitrite Reductase, Oxidised Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cytochrome CD1 Nitrite Reductase, Oxidised Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:11.3 occ:1.00 FE B:HEC601 0.0 11.3 1.0 NA B:HEC601 1.9 9.4 1.0 NC B:HEC601 2.0 8.6 1.0 NE2 B:HIS69 2.0 8.2 1.0 ND B:HEC601 2.0 9.4 1.0 NB B:HEC601 2.0 8.9 1.0 NE2 B:HIS17 2.0 9.3 1.0 CE1 B:HIS17 2.9 10.9 1.0 CE1 B:HIS69 2.9 7.6 1.0 C1A B:HEC601 3.0 9.9 1.0 C4C B:HEC601 3.0 8.8 1.0 C4A B:HEC601 3.0 10.1 1.0 C4D B:HEC601 3.0 9.9 1.0 C4B B:HEC601 3.0 9.0 1.0 C1C B:HEC601 3.0 8.6 1.0 C1D B:HEC601 3.0 9.5 1.0 C1B B:HEC601 3.0 9.4 1.0 CD2 B:HIS69 3.1 7.9 1.0 CD2 B:HIS17 3.1 10.9 1.0 CHA B:HEC601 3.4 10.4 1.0 CHD B:HEC601 3.4 9.7 1.0 CHB B:HEC601 3.4 9.8 1.0 CHC B:HEC601 3.4 8.7 1.0 ND1 B:HIS69 4.1 8.8 1.0 ND1 B:HIS17 4.1 11.3 1.0 CG B:HIS69 4.2 8.5 1.0 CG B:HIS17 4.2 11.8 1.0 C2A B:HEC601 4.2 10.5 1.0 C3D B:HEC601 4.2 10.1 1.0 C3C B:HEC601 4.2 8.8 1.0 C2D B:HEC601 4.3 10.1 1.0 C3A B:HEC601 4.3 10.2 1.0 C3B B:HEC601 4.3 9.6 1.0 C2C B:HEC601 4.3 9.0 1.0 C2B B:HEC601 4.3 9.6 1.0 CE1 B:PHE97 4.9 12.3 1.0

Iron binding site 4 out of 4 in the Cytochrome CD1 Nitrite Reductase, Oxidised Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Cytochrome CD1 Nitrite Reductase, Oxidised Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe602 b:5.0 occ:1.00 FE B:DHE602 0.0 5.0 1.0 OH B:TYR25 1.9 8.9 1.0 NE2 B:HIS200 2.0 7.2 1.0 NC B:DHE602 2.1 7.4 1.0 ND B:DHE602 2.1 7.0 1.0 NA B:DHE602 2.1 7.3 1.0 NB B:DHE602 2.1 7.0 1.0 CE1 B:HIS200 2.9 7.7 1.0 C1C B:DHE602 3.0 7.0 1.0 CZ B:TYR25 3.1 9.2 1.0 C1B B:DHE602 3.1 7.0 1.0 C4C B:DHE602 3.1 7.0 1.0 C1D B:DHE602 3.1 6.8 1.0 C4A B:DHE602 3.1 7.0 1.0 C1A B:DHE602 3.1 7.3 1.0 C4B B:DHE602 3.1 7.1 1.0 C4D B:DHE602 3.1 7.0 1.0 CD2 B:HIS200 3.1 8.1 1.0 CHC B:DHE602 3.4 7.1 1.0 CHD B:DHE602 3.4 7.3 1.0 CHA B:DHE602 3.4 7.1 1.0 CHB B:DHE602 3.4 7.6 1.0 CE1 B:TYR25 3.8 9.3 1.0 CE2 B:TYR25 3.9 9.0 1.0 O B:HOH2038 3.9 10.2 1.0 ND1 B:HIS200 4.1 9.0 1.0 CG B:HIS200 4.2 8.2 1.0 C2A B:DHE602 4.3 8.3 1.0 C3A B:DHE602 4.3 7.6 1.0 C2D B:DHE602 4.3 7.1 1.0 C3D B:DHE602 4.3 7.0 1.0 C2C B:DHE602 4.3 7.6 1.0 C2B B:DHE602 4.3 8.1 1.0 C3C B:DHE602 4.4 7.3 1.0 C3B B:DHE602 4.4 7.2 1.0

V.Fulop, J.W.Moir, S.J.Ferguson, J.Hajdu. The Anatomy of A Bifunctional Enzyme: Structural Basis For Reduction of Oxygen to Water and Synthesis of Nitric Oxide By Cytochrome CD1. Cell(Cambridge,Mass.) V. 81 369 1995.
ISSN: ISSN 0092-8674
PubMed: 7736589
DOI: 10.1016/0092-8674(95)90390-9