Iron in PDB 8bhx: High Resolution Structure of the Iron Superoxide Dismutase From Thermobifida Fusca

All present enzymatic activity of High Resolution Structure of the Iron Superoxide Dismutase From Thermobifida Fusca:
1.15.1.1;

The structure of High Resolution Structure of the Iron Superoxide Dismutase From Thermobifida Fusca, PDB code: 8bhx was solved by H.-K.S.Leiros, M.Sorlie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.65 / 1.25
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	98.61, 58.59, 67.94, 90, 90, 90
R / Rfree (%)	12.5 / 14.5

The binding sites of Iron atom in the High Resolution Structure of the Iron Superoxide Dismutase From Thermobifida Fusca (pdb code 8bhx). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the High Resolution Structure of the Iron Superoxide Dismutase From Thermobifida Fusca, PDB code: 8bhx:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the High Resolution Structure of the Iron Superoxide Dismutase From Thermobifida Fusca


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of High Resolution Structure of the Iron Superoxide Dismutase From Thermobifida Fusca within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:8.2 occ:0.77 OD2 A:ASP161 2.0 9.9 1.0 O A:HOH533 2.1 10.8 1.0 NE2 A:HIS77 2.2 10.6 1.0 NE2 A:HIS29 2.2 9.6 1.0 NE2 A:HIS165 2.2 10.5 1.0 O A:HOH421 2.2 15.6 0.7 CE1 A:HIS77 3.0 10.4 1.0 CG A:ASP161 3.1 9.0 1.0 CE1 A:HIS29 3.1 9.2 1.0 CE1 A:HIS165 3.2 11.1 1.0 CD2 A:HIS29 3.2 9.6 1.0 HE1 A:HIS77 3.2 12.4 1.0 CD2 A:HIS165 3.2 9.9 1.0 CD2 A:HIS77 3.2 9.5 1.0 HE1 A:HIS29 3.3 11.1 1.0 HE1 A:HIS165 3.3 13.3 1.0 HD2 A:HIS29 3.3 11.6 1.0 HD2 A:HIS165 3.4 11.9 1.0 HD2 A:HIS77 3.4 11.4 1.0 OD1 A:ASP161 3.5 9.8 1.0 HB2 A:TRP163 3.8 8.9 1.0 HE1 A:HIS146 4.0 10.8 1.0 HZ2 A:TRP126 4.0 11.3 1.0 HB2 A:ALA166 4.1 12.6 1.0 HE1 A:TYR37 4.1 15.9 1.0 ND1 A:HIS77 4.2 10.3 1.0 ND1 A:HIS29 4.2 10.9 1.0 ND1 A:HIS165 4.3 11.3 1.0 CG A:HIS29 4.3 10.0 1.0 CG A:HIS77 4.3 10.1 1.0 CG A:HIS165 4.3 9.7 1.0 HH2 A:TRP126 4.3 9.7 1.0 CB A:ASP161 4.4 8.8 1.0 HB2 A:ASP161 4.4 10.6 1.0 CZ2 A:TRP126 4.5 9.4 1.0 HB3 A:ASP161 4.6 10.6 1.0 CB A:TRP163 4.6 7.4 1.0 CH2 A:TRP126 4.6 8.1 1.0 HB3 A:HIS33 4.6 12.9 1.0 CG A:TRP163 4.8 8.1 1.0 OH A:TYR37 4.8 25.5 1.0 HB3 A:TRP163 4.9 8.9 1.0 HB2 A:HIS33 4.9 12.9 1.0 CE1 A:HIS146 4.9 9.0 1.0 HD1 A:HIS77 5.0 12.4 1.0 CE1 A:TYR37 5.0 13.2 1.0

Iron binding site 2 out of 2 in the High Resolution Structure of the Iron Superoxide Dismutase From Thermobifida Fusca


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of High Resolution Structure of the Iron Superoxide Dismutase From Thermobifida Fusca within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:8.5 occ:0.93 OD2 B:ASP161 2.0 8.0 1.0 O B:HOH553 2.1 9.0 1.0 O B:HOH433 2.1 18.1 1.0 NE2 B:HIS29 2.2 7.9 1.0 NE2 B:HIS77 2.2 9.6 1.0 NE2 B:HIS165 2.2 10.4 1.0 CE1 B:HIS77 3.0 9.9 1.0 CG B:ASP161 3.1 7.7 1.0 CE1 B:HIS29 3.1 7.5 1.0 HE1 B:HIS77 3.1 11.9 1.0 CD2 B:HIS29 3.1 7.4 1.0 CE1 B:HIS165 3.2 10.9 1.0 CD2 B:HIS165 3.2 9.1 1.0 CD2 B:HIS77 3.3 8.8 1.0 HE1 B:HIS29 3.3 9.0 1.0 HD2 B:HIS29 3.3 8.8 1.0 HE1 B:HIS165 3.3 13.1 1.0 HD2 B:HIS165 3.4 10.9 1.0 HD2 B:HIS77 3.5 10.6 1.0 OD1 B:ASP161 3.5 8.2 1.0 HB2 B:TRP163 3.8 9.3 1.0 HE1 B:HIS146 4.0 9.3 1.0 HZ2 B:TRP126 4.0 10.1 1.0 HB2 B:ALA166 4.0 10.1 1.0 ND1 B:HIS77 4.2 8.5 1.0 OH B:TYR37 4.2 9.9 0.5 ND1 B:HIS29 4.2 8.9 1.0 HE2 B:TYR37 4.3 9.4 0.5 CG B:HIS29 4.3 8.7 1.0 HE2 B:TYR37 4.3 8.6 0.5 ND1 B:HIS165 4.3 9.8 1.0 CB B:ASP161 4.3 7.0 1.0 CG B:HIS165 4.3 8.5 1.0 CG B:HIS77 4.3 8.6 1.0 HH2 B:TRP126 4.4 10.8 1.0 HB2 B:ASP161 4.4 8.4 1.0 CZ2 B:TRP126 4.5 8.4 1.0 HH B:TYR37 4.5 11.1 0.5 HB3 B:ASP161 4.6 8.4 1.0 CB B:TRP163 4.6 7.8 1.0 HB3 B:HIS33 4.6 9.8 1.0 CH2 B:TRP126 4.7 9.0 1.0 HH B:TYR37 4.7 11.8 0.5 CG B:TRP163 4.8 7.0 1.0 CE1 B:HIS146 4.9 7.7 1.0 HB3 B:TRP163 4.9 9.3 1.0 HB2 B:HIS33 4.9 9.8 1.0 HD1 B:HIS77 5.0 10.2 1.0 CB B:ALA166 5.0 8.4 1.0 HD1 B:HIS29 5.0 10.7 1.0

A.G.Hamre, R.Al-Sadawi, K.M.Johannesen, B.Bisarro, A.R.Kjendseth, H.S.Leiros, M.Sorlie. Initial Characterization of An Iron Superoxide Dismutase From Thermobifida Fusca. J.Biol.Inorg.Chem. 2023.
ISSN: ESSN 1432-1327
PubMed: 37725277
DOI: 10.1007/S00775-023-02019-9