Iron in PDB 1qnn: Cambialistic Superoxide Dismutase From Porphyromonas Gingivalis

All present enzymatic activity of Cambialistic Superoxide Dismutase From Porphyromonas Gingivalis:
1.15.1.1;

The structure of Cambialistic Superoxide Dismutase From Porphyromonas Gingivalis, PDB code: 1qnn was solved by S.Sugio, B.Y.Hiraoka, F.Yamakura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.470, 102.660, 99.590, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 22.3

The binding sites of Iron atom in the Cambialistic Superoxide Dismutase From Porphyromonas Gingivalis (pdb code 1qnn). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Cambialistic Superoxide Dismutase From Porphyromonas Gingivalis, PDB code: 1qnn:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Cambialistic Superoxide Dismutase From Porphyromonas Gingivalis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cambialistic Superoxide Dismutase From Porphyromonas Gingivalis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:20.1 occ:1.00 OD2 A:ASP157 1.9 16.3 1.0 O A:HOH2085 2.1 13.6 1.0 NE2 A:HIS161 2.1 14.7 1.0 NE2 A:HIS74 2.1 15.5 1.0 NE2 A:HIS27 2.1 6.2 1.0 CE1 A:HIS74 3.0 16.5 1.0 CE1 A:HIS27 3.0 9.2 1.0 CG A:ASP157 3.0 15.9 1.0 CD2 A:HIS161 3.1 16.8 1.0 CE1 A:HIS161 3.1 15.7 1.0 CD2 A:HIS27 3.2 11.1 1.0 CD2 A:HIS74 3.2 16.6 1.0 OD1 A:ASP157 3.6 17.4 1.0 ND1 A:HIS27 4.1 7.9 1.0 CZ2 A:TRP123 4.2 15.4 1.0 ND1 A:HIS74 4.2 17.6 1.0 ND1 A:HIS161 4.2 14.7 1.0 CG A:HIS161 4.2 15.0 1.0 CG A:HIS27 4.3 9.5 1.0 CB A:ASP157 4.3 15.6 1.0 CG A:HIS74 4.3 17.2 1.0 CB A:TRP159 4.5 12.0 1.0 CH2 A:TRP123 4.6 15.8 1.0 NE2 A:GLN70 4.7 18.5 1.0 CG A:TRP159 4.7 11.4 1.0 CB A:ALA162 4.9 12.6 1.0

Iron binding site 2 out of 4 in the Cambialistic Superoxide Dismutase From Porphyromonas Gingivalis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cambialistic Superoxide Dismutase From Porphyromonas Gingivalis within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:20.6 occ:1.00 OD2 B:ASP157 1.8 15.5 1.0 O B:HOH2088 2.1 15.5 1.0 NE2 B:HIS161 2.1 16.1 1.0 NE2 B:HIS74 2.2 17.7 1.0 NE2 B:HIS27 2.2 10.3 1.0 CG B:ASP157 3.0 18.6 1.0 CE1 B:HIS74 3.0 18.8 1.0 CE1 B:HIS161 3.1 17.2 1.0 CD2 B:HIS161 3.1 16.3 1.0 CE1 B:HIS27 3.1 11.9 1.0 CD2 B:HIS27 3.2 12.1 1.0 CD2 B:HIS74 3.2 18.4 1.0 OD1 B:ASP157 3.5 16.5 1.0 CZ2 B:TRP123 4.1 18.6 1.0 ND1 B:HIS74 4.2 19.5 1.0 ND1 B:HIS161 4.2 16.0 1.0 CB B:ASP157 4.2 17.4 1.0 CG B:HIS161 4.2 14.2 1.0 ND1 B:HIS27 4.3 11.8 1.0 CG B:HIS74 4.3 18.9 1.0 CG B:HIS27 4.3 12.1 1.0 CB B:TRP159 4.5 14.0 1.0 CH2 B:TRP123 4.6 16.9 1.0 NE2 B:GLN70 4.6 21.4 1.0 CG B:TRP159 4.7 14.0 1.0 CB B:ALA162 4.9 18.1 1.0

Iron binding site 3 out of 4 in the Cambialistic Superoxide Dismutase From Porphyromonas Gingivalis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cambialistic Superoxide Dismutase From Porphyromonas Gingivalis within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:18.9 occ:1.00 OD2 C:ASP157 1.8 13.7 1.0 O C:HOH2117 2.1 18.6 1.0 NE2 C:HIS74 2.1 16.2 1.0 NE2 C:HIS161 2.2 12.6 1.0 NE2 C:HIS27 2.2 11.9 1.0 CG C:ASP157 2.9 16.9 1.0 CE1 C:HIS74 2.9 14.7 1.0 CD2 C:HIS161 3.1 15.8 1.0 CE1 C:HIS27 3.2 12.8 1.0 CD2 C:HIS74 3.2 16.3 1.0 CD2 C:HIS27 3.2 13.1 1.0 CE1 C:HIS161 3.2 15.2 1.0 OD1 C:ASP157 3.4 17.8 1.0 ND1 C:HIS74 4.1 13.5 1.0 CZ2 C:TRP123 4.1 15.4 1.0 CB C:ASP157 4.2 14.8 1.0 CG C:HIS74 4.3 15.5 1.0 ND1 C:HIS27 4.3 11.3 1.0 CG C:HIS161 4.3 14.6 1.0 ND1 C:HIS161 4.3 11.4 1.0 CG C:HIS27 4.3 11.0 1.0 CB C:TRP159 4.5 12.0 1.0 NE2 C:GLN70 4.6 13.6 1.0 CH2 C:TRP123 4.6 13.2 1.0 CG C:TRP159 4.7 11.2 1.0 CB C:ALA162 4.8 15.0 1.0 CE2 C:TRP123 5.0 14.5 1.0

Iron binding site 4 out of 4 in the Cambialistic Superoxide Dismutase From Porphyromonas Gingivalis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Cambialistic Superoxide Dismutase From Porphyromonas Gingivalis within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:27.4 occ:1.00 OD2 D:ASP157 1.9 20.1 1.0 NE2 D:HIS161 2.2 21.1 1.0 O D:HOH2056 2.2 19.2 1.0 NE2 D:HIS74 2.2 29.9 1.0 NE2 D:HIS27 2.2 24.3 1.0 CG D:ASP157 3.0 22.9 1.0 CD2 D:HIS161 3.1 21.9 1.0 CE1 D:HIS74 3.1 29.7 1.0 CD2 D:HIS27 3.1 24.3 1.0 CE1 D:HIS161 3.2 20.5 1.0 CE1 D:HIS27 3.2 25.4 1.0 CD2 D:HIS74 3.2 30.4 1.0 OD1 D:ASP157 3.5 23.3 1.0 ND1 D:HIS161 4.3 22.3 1.0 CB D:ASP157 4.3 22.0 1.0 ND1 D:HIS74 4.3 29.8 1.0 CG D:HIS161 4.3 21.6 1.0 CZ2 D:TRP123 4.3 25.7 1.0 ND1 D:HIS27 4.3 24.1 1.0 CG D:HIS27 4.3 25.2 1.0 CG D:HIS74 4.4 30.6 1.0 CB D:TRP159 4.5 16.3 1.0 NE2 D:GLN70 4.6 26.1 1.0 CG D:TRP159 4.7 16.1 1.0 CH2 D:TRP123 4.8 24.8 1.0 CB D:ALA162 4.9 22.2 1.0 CD1 D:TRP159 5.0 15.8 1.0

S.Sugio, B.Y.Hiraoka, F.Yamakura. Crystal Structure of Cambialistic Superoxide Dismutase From Porphyromonas Gingivalis Eur.J.Biochem. V. 267 3487 2000.
ISSN: ISSN 0014-2956
PubMed: 10848964
DOI: 10.1046/J.1432-1327.2000.01373.X