Iron in PDB 1hj3: Cytochrome CD1 Nitrite Reductase, Dioxygen Complex

All present enzymatic activity of Cytochrome CD1 Nitrite Reductase, Dioxygen Complex:
1.7.2.1; 1.7.99.1;

The structure of Cytochrome CD1 Nitrite Reductase, Dioxygen Complex, PDB code: 1hj3 was solved by T.Sjogren, J.Hajdu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	107.190, 61.170, 100.520, 90.00, 112.19, 90.00
R / Rfree (%)	19.6 / 21.9

The binding sites of Iron atom in the Cytochrome CD1 Nitrite Reductase, Dioxygen Complex (pdb code 1hj3). 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, Dioxygen Complex, PDB code: 1hj3:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Cytochrome CD1 Nitrite Reductase, Dioxygen Complex


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, Dioxygen Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:30.1 occ:1.00 FE A:HEC601 0.0 30.1 1.0 ND A:HEC601 2.0 31.8 1.0 NB A:HEC601 2.0 30.2 1.0 NA A:HEC601 2.0 31.2 1.0 NC A:HEC601 2.0 30.5 1.0 NE2 A:HIS69 2.1 28.6 1.0 NE2 A:HIS17 2.4 56.8 1.0 CD2 A:HIS17 3.0 57.8 1.0 CE1 A:HIS69 3.0 29.3 1.0 C4D A:HEC601 3.0 31.7 1.0 C1D A:HEC601 3.0 31.2 1.0 C4A A:HEC601 3.0 30.8 1.0 C1C A:HEC601 3.0 31.5 1.0 C1A A:HEC601 3.0 32.4 1.0 C4C A:HEC601 3.0 31.3 1.0 C4B A:HEC601 3.0 32.2 1.0 C1B A:HEC601 3.1 31.1 1.0 CD2 A:HIS69 3.1 30.1 1.0 CHD A:HEC601 3.4 31.6 1.0 CHA A:HEC601 3.4 32.1 1.0 CHC A:HEC601 3.4 31.1 1.0 CHB A:HEC601 3.4 30.4 1.0 CE1 A:HIS17 3.5 57.6 1.0 ND1 A:HIS69 4.1 28.7 1.0 CG A:HIS69 4.2 29.1 1.0 CG A:HIS17 4.3 57.8 1.0 C2D A:HEC601 4.3 31.9 1.0 C3C A:HEC601 4.3 31.7 1.0 C3D A:HEC601 4.3 31.9 1.0 C2A A:HEC601 4.3 32.7 1.0 C3A A:HEC601 4.3 31.6 1.0 C2C A:HEC601 4.3 31.5 1.0 C3B A:HEC601 4.3 32.1 1.0 C2B A:HEC601 4.3 31.3 1.0 ND1 A:HIS17 4.5 57.8 1.0

Iron binding site 2 out of 4 in the Cytochrome CD1 Nitrite Reductase, Dioxygen Complex


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, Dioxygen Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:17.4 occ:1.00 FE A:DHE602 0.0 17.4 1.0 NE2 A:HIS200 1.7 12.1 1.0 OH A:TYR25 2.0 29.2 1.0 NA A:DHE602 2.0 14.3 1.0 NB A:DHE602 2.0 19.9 1.0 ND A:DHE602 2.0 14.9 1.0 NC A:DHE602 2.0 18.2 1.0 CE1 A:HIS200 2.8 14.8 1.0 CD2 A:HIS200 2.8 13.2 1.0 C4D A:DHE602 3.0 13.9 1.0 C1B A:DHE602 3.0 21.7 1.0 C1A A:DHE602 3.0 15.6 1.0 C4A A:DHE602 3.0 16.9 1.0 C4B A:DHE602 3.0 22.6 1.0 CZ A:TYR25 3.0 35.0 1.0 C1C A:DHE602 3.1 21.9 1.0 C1D A:DHE602 3.1 14.8 1.0 C4C A:DHE602 3.1 18.0 1.0 CHB A:DHE602 3.4 19.1 1.0 CHA A:DHE602 3.4 14.6 1.0 CHC A:DHE602 3.4 22.4 1.0 CHD A:DHE602 3.5 15.2 1.0 O A:HOH2002 3.7 30.4 1.0 CE1 A:TYR25 3.8 34.9 1.0 ND1 A:HIS200 3.8 16.9 1.0 CE2 A:TYR25 3.9 34.9 1.0 CG A:HIS200 3.9 16.3 1.0 C3A A:DHE602 4.2 14.1 1.0 C3B A:DHE602 4.2 23.9 1.0 C2B A:DHE602 4.2 22.5 1.0 C2A A:DHE602 4.2 14.5 1.0 C3D A:DHE602 4.2 12.5 1.0 C2D A:DHE602 4.3 13.5 1.0 C2C A:DHE602 4.3 22.0 1.0 C3C A:DHE602 4.3 19.5 1.0 CGB A:DHE602 4.8 23.9 1.0

Iron binding site 3 out of 4 in the Cytochrome CD1 Nitrite Reductase, Dioxygen Complex


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, Dioxygen Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:26.2 occ:1.00 FE B:HEC601 0.0 26.2 1.0 NB B:HEC601 2.0 25.5 1.0 ND B:HEC601 2.0 26.9 1.0 NC B:HEC601 2.0 26.4 1.0 NA B:HEC601 2.0 26.7 1.0 NE2 B:HIS69 2.1 23.9 1.0 SD B:MET106 2.4 23.7 1.0 C4B B:HEC601 3.0 24.8 1.0 C1D B:HEC601 3.0 30.1 1.0 C4D B:HEC601 3.0 29.9 1.0 C1C B:HEC601 3.0 26.4 1.0 C1B B:HEC601 3.0 23.8 1.0 C4C B:HEC601 3.0 27.7 1.0 C1A B:HEC601 3.1 28.1 1.0 C4A B:HEC601 3.1 26.6 1.0 CE1 B:HIS69 3.1 26.1 1.0 CD2 B:HIS69 3.2 24.6 1.0 CHD B:HEC601 3.4 28.4 1.0 CHC B:HEC601 3.4 26.6 1.0 CE B:MET106 3.4 26.3 1.0 CHB B:HEC601 3.4 25.6 1.0 CHA B:HEC601 3.4 28.8 1.0 CG B:MET106 3.6 27.5 1.0 CB B:MET106 4.1 30.9 1.0 ND1 B:HIS69 4.2 23.4 1.0 C3B B:HEC601 4.2 24.5 1.0 C3C B:HEC601 4.3 27.5 1.0 C2D B:HEC601 4.3 30.9 1.0 C2B B:HEC601 4.3 24.7 1.0 C3D B:HEC601 4.3 31.2 1.0 C2C B:HEC601 4.3 27.6 1.0 CG B:HIS69 4.3 23.6 1.0 C2A B:HEC601 4.3 27.8 1.0 C3A B:HEC601 4.3 27.9 1.0 CA B:MET106 4.7 32.7 1.0

Iron binding site 4 out of 4 in the Cytochrome CD1 Nitrite Reductase, Dioxygen Complex


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, Dioxygen Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe602 b:16.4 occ:1.00 FE B:DHE602 0.0 16.4 1.0 O1 B:OXY603 1.8 21.3 1.0 NE2 B:HIS200 1.9 16.8 1.0 NA B:DHE602 2.0 15.9 1.0 ND B:DHE602 2.0 15.2 1.0 NB B:DHE602 2.0 18.8 1.0 NC B:DHE602 2.0 17.6 1.0 O2 B:OXY603 2.8 25.1 1.0 CE1 B:HIS200 2.9 15.5 1.0 CD2 B:HIS200 3.0 14.4 1.0 C4D B:DHE602 3.0 14.6 1.0 C1B B:DHE602 3.0 21.1 1.0 C4A B:DHE602 3.0 18.1 1.0 C4B B:DHE602 3.0 21.0 1.0 C1C B:DHE602 3.0 21.0 1.0 C1A B:DHE602 3.0 16.4 1.0 C1D B:DHE602 3.0 16.3 1.0 C4C B:DHE602 3.0 20.2 1.0 CHB B:DHE602 3.4 19.1 1.0 CHA B:DHE602 3.4 16.1 1.0 CHC B:DHE602 3.4 21.9 1.0 CHD B:DHE602 3.4 17.9 1.0 ND1 B:HIS200 4.0 16.6 1.0 CG B:HIS200 4.1 16.1 1.0 C3A B:DHE602 4.2 17.9 1.0 C3D B:DHE602 4.2 14.7 1.0 C2D B:DHE602 4.2 15.4 1.0 C2B B:DHE602 4.2 22.2 1.0 C2A B:DHE602 4.2 16.7 1.0 C3B B:DHE602 4.2 22.6 1.0 C3C B:DHE602 4.2 20.6 1.0 C2C B:DHE602 4.3 22.7 1.0 O2C B:DHE602 4.7 22.8 1.0 O2B B:DHE602 4.7 26.7 1.0

T.Sjogren, J.Hajdu. Structure of the Bound Dioxygen Species in the Cytochrome Oxidase Reaction of Cytochrome CD1 Nitrite Reductase. J. Biol. Chem. V. 276 13072 2001.
ISSN: ISSN 0021-9258
PubMed: 11278884
DOI: 10.1074/JBC.M011312200