Iron in PDB 1gq1: Cytochrome CD1 Nitrite Reductase, Y25S Mutant, Oxidised Form

All present enzymatic activity of Cytochrome CD1 Nitrite Reductase, Y25S Mutant, Oxidised Form:
1.7.2.1; 1.9.3.2;

The structure of Cytochrome CD1 Nitrite Reductase, Y25S Mutant, Oxidised Form, PDB code: 1gq1 was solved by T.Sjogren, E.H.J.Gordon, M.Lofqvist, C.D.Richter, J.Hajdu, S.J.Ferguson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	106.797, 60.600, 100.340, 90.00, 112.33, 90.00
R / Rfree (%)	15.9 / 17.5

The binding sites of Iron atom in the Cytochrome CD1 Nitrite Reductase, Y25S Mutant, Oxidised Form (pdb code 1gq1). 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, Y25S Mutant, Oxidised Form, PDB code: 1gq1:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Cytochrome CD1 Nitrite Reductase, Y25S Mutant, 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, Y25S Mutant, Oxidised Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:8.7 occ:1.00 FE A:HEC601 0.0 8.7 1.0 NB A:HEC601 2.0 9.0 1.0 NC A:HEC601 2.0 8.7 1.0 NA A:HEC601 2.0 8.9 1.0 ND A:HEC601 2.0 9.6 1.0 NE2 A:HIS69 2.0 7.4 1.0 NE2 A:HIS17 2.0 9.6 1.0 CE1 A:HIS17 2.9 11.7 1.0 CE1 A:HIS69 3.0 7.9 1.0 C1C A:HEC601 3.0 8.9 1.0 C4D A:HEC601 3.0 10.1 1.0 C1B A:HEC601 3.0 9.2 1.0 C1A A:HEC601 3.0 9.2 1.0 C4A A:HEC601 3.0 9.3 1.0 C4B A:HEC601 3.0 9.1 1.0 C1D A:HEC601 3.0 9.8 1.0 C4C A:HEC601 3.0 8.8 1.0 CD2 A:HIS69 3.1 8.2 1.0 CD2 A:HIS17 3.1 10.1 1.0 CHB A:HEC601 3.4 9.3 1.0 CHA A:HEC601 3.4 9.6 1.0 CHD A:HEC601 3.4 8.9 1.0 CHC A:HEC601 3.4 9.1 1.0 ND1 A:HIS17 4.1 11.7 1.0 ND1 A:HIS69 4.1 8.1 1.0 CG A:HIS69 4.2 7.9 1.0 CG A:HIS17 4.2 10.1 1.0 C3B A:HEC601 4.2 8.9 1.0 C3C A:HEC601 4.2 9.1 1.0 C2C A:HEC601 4.2 8.3 1.0 C3D A:HEC601 4.2 10.2 1.0 C2B A:HEC601 4.2 9.2 1.0 C2D A:HEC601 4.2 9.6 1.0 C3A A:HEC601 4.3 10.1 1.0 C2A A:HEC601 4.3 10.3 1.0

Iron binding site 2 out of 4 in the Cytochrome CD1 Nitrite Reductase, Y25S Mutant, 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, Y25S Mutant, Oxidised Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:8.3 occ:1.00 FE A:DHE602 0.0 8.3 1.0 NE2 A:HIS200 2.0 10.5 1.0 NA A:DHE602 2.0 7.9 1.0 NB A:DHE602 2.0 8.7 1.0 NC A:DHE602 2.0 8.1 1.0 ND A:DHE602 2.0 7.5 1.0 O1 A:SO4603 2.1 18.4 1.0 CE1 A:HIS200 2.9 11.1 1.0 C1B A:DHE602 3.0 9.2 1.0 C1C A:DHE602 3.0 8.6 1.0 CD2 A:HIS200 3.0 10.5 1.0 C4A A:DHE602 3.0 8.6 1.0 C1A A:DHE602 3.1 7.8 1.0 C4B A:DHE602 3.1 8.9 1.0 C1D A:DHE602 3.1 7.2 1.0 C4D A:DHE602 3.1 7.2 1.0 C4C A:DHE602 3.1 7.8 1.0 S A:SO4603 3.3 21.6 1.0 CHB A:DHE602 3.4 8.7 1.0 CHC A:DHE602 3.4 9.2 1.0 CHA A:DHE602 3.4 7.0 1.0 CHD A:DHE602 3.4 7.8 1.0 O2 A:SO4603 3.6 22.1 1.0 O3 A:SO4603 3.9 20.2 1.0 ND1 A:HIS200 4.0 11.8 1.0 CG A:HIS200 4.1 10.2 1.0 C2B A:DHE602 4.2 10.2 1.0 C3B A:DHE602 4.3 9.3 1.0 C2C A:DHE602 4.3 9.9 1.0 C3A A:DHE602 4.3 8.5 1.0 C2A A:DHE602 4.3 8.7 1.0 C2D A:DHE602 4.3 6.8 1.0 C3D A:DHE602 4.3 7.0 1.0 C3C A:DHE602 4.3 8.2 1.0 O4 A:SO4603 4.5 22.5 1.0 CGB A:DHE602 4.9 11.1 1.0

Iron binding site 3 out of 4 in the Cytochrome CD1 Nitrite Reductase, Y25S Mutant, 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, Y25S Mutant, Oxidised Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:8.7 occ:1.00 FE B:HEC601 0.0 8.7 1.0 NE2 B:HIS69 2.0 7.8 1.0 NB B:HEC601 2.0 8.4 1.0 NC B:HEC601 2.0 9.1 1.0 NA B:HEC601 2.0 8.9 1.0 ND B:HEC601 2.0 9.3 1.0 NE2 B:HIS17 2.1 9.0 1.0 CE1 B:HIS69 3.0 8.2 1.0 C1C B:HEC601 3.0 8.8 1.0 CE1 B:HIS17 3.0 9.4 1.0 C4B B:HEC601 3.0 8.9 1.0 CD2 B:HIS69 3.0 8.2 1.0 C1B B:HEC601 3.0 8.9 1.0 C4C B:HEC601 3.0 9.2 1.0 C1D B:HEC601 3.0 9.1 1.0 C4A B:HEC601 3.0 9.9 1.0 C1A B:HEC601 3.0 10.1 1.0 C4D B:HEC601 3.1 9.9 1.0 CD2 B:HIS17 3.1 9.5 1.0 CHC B:HEC601 3.4 8.7 1.0 CHD B:HEC601 3.4 9.5 1.0 CHB B:HEC601 3.4 9.5 1.0 CHA B:HEC601 3.4 9.7 1.0 ND1 B:HIS69 4.1 8.7 1.0 ND1 B:HIS17 4.1 10.2 1.0 CG B:HIS69 4.1 7.6 1.0 C3B B:HEC601 4.2 9.0 1.0 CG B:HIS17 4.2 10.3 1.0 C2C B:HEC601 4.2 9.1 1.0 C3C B:HEC601 4.2 9.2 1.0 C2B B:HEC601 4.2 8.8 1.0 C2D B:HEC601 4.3 10.1 1.0 C2A B:HEC601 4.3 10.8 1.0 C3A B:HEC601 4.3 10.4 1.0 C3D B:HEC601 4.3 9.7 1.0 CE1 B:PHE97 5.0 13.0 1.0

Iron binding site 4 out of 4 in the Cytochrome CD1 Nitrite Reductase, Y25S Mutant, 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, Y25S Mutant, Oxidised Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe602 b:7.2 occ:1.00 FE B:DHE602 0.0 7.2 1.0 NA B:DHE602 2.0 7.4 1.0 NB B:DHE602 2.0 6.8 1.0 ND B:DHE602 2.0 7.7 1.0 NC B:DHE602 2.0 7.5 1.0 O1 B:SO4603 2.0 17.6 1.0 NE2 B:HIS200 2.0 8.2 1.0 CE1 B:HIS200 2.9 8.6 1.0 C1B B:DHE602 3.0 8.0 1.0 C1C B:DHE602 3.0 7.8 1.0 C1A B:DHE602 3.0 7.5 1.0 C1D B:DHE602 3.0 6.6 1.0 C4D B:DHE602 3.0 7.3 1.0 C4A B:DHE602 3.0 6.6 1.0 C4B B:DHE602 3.1 7.7 1.0 C4C B:DHE602 3.1 7.6 1.0 CD2 B:HIS200 3.1 7.9 1.0 S B:SO4603 3.3 21.2 1.0 CHB B:DHE602 3.4 7.8 1.0 CHC B:DHE602 3.4 8.1 1.0 CHD B:DHE602 3.4 6.9 1.0 CHA B:DHE602 3.4 7.8 1.0 O2 B:SO4603 3.6 21.3 1.0 O3 B:SO4603 3.9 19.2 1.0 ND1 B:HIS200 4.1 9.6 1.0 CG B:HIS200 4.2 8.8 1.0 C2B B:DHE602 4.2 9.0 1.0 C2C B:DHE602 4.3 9.6 1.0 C2A B:DHE602 4.3 7.7 1.0 C3D B:DHE602 4.3 7.2 1.0 C3A B:DHE602 4.3 6.9 1.0 C2D B:DHE602 4.3 6.9 1.0 C3B B:DHE602 4.3 7.1 1.0 C3C B:DHE602 4.3 8.3 1.0 O4 B:SO4603 4.4 21.5 1.0 CGB B:DHE602 4.9 8.7 1.0

E.H.J.Gordon, T.Sjogren, M.Lofqvist, C.D.Richter, J.Allen, C.Higham, J.Hajdu, V.Fulop, S.J.Ferguson. Structure and Kinetic Properties of Paracoccus Pantotrophus Cytochrome CD1 Nitrite Reductase with the D1 Heme Active Site Ligand Tyrosine 25 Replaced By Serine J.Biol.Chem. V. 278 11773 2003.
ISSN: ISSN 0021-9258
PubMed: 12556530
DOI: 10.1074/JBC.M211886200