Iron in PDB 5aus: Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at C-Terminal Region

The structure of Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at C-Terminal Region, PDB code: 5aus was solved by C.Ren, S.Nagao, M.Yamanaka, H.Komori, Y.Shomura, Y.Higuchi, S.Hirota, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.30
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	71.000, 71.020, 62.080, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 20.2

The binding sites of Iron atom in the Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at C-Terminal Region (pdb code 5aus). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at C-Terminal Region, PDB code: 5aus:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at C-Terminal Region


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at C-Terminal Region within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:5.3 occ:1.00 FE A:HEC101 0.0 5.3 1.0 ND A:HEC101 2.0 5.3 1.0 NC A:HEC101 2.0 5.9 1.0 NA A:HEC101 2.0 5.1 1.0 NB A:HEC101 2.0 5.2 1.0 NE2 A:HIS14 2.0 5.3 1.0 SD C:MET62 2.4 5.8 1.0 CE1 A:HIS14 3.0 5.7 1.0 C1D A:HEC101 3.0 5.4 1.0 C4D A:HEC101 3.0 4.8 1.0 C4C A:HEC101 3.0 5.6 1.0 C1A A:HEC101 3.0 5.0 1.0 C1C A:HEC101 3.0 6.3 1.0 C4B A:HEC101 3.0 5.5 1.0 C4A A:HEC101 3.0 5.2 1.0 C1B A:HEC101 3.1 5.3 1.0 CD2 A:HIS14 3.1 5.1 1.0 CE C:MET62 3.4 6.4 1.0 CHD A:HEC101 3.4 5.5 1.0 CHA A:HEC101 3.4 4.8 1.0 CHC A:HEC101 3.4 5.7 1.0 CHB A:HEC101 3.4 5.1 1.0 CG C:MET62 3.5 6.2 1.0 ND1 A:HIS14 4.1 5.2 1.0 CG A:HIS14 4.2 5.6 1.0 C2D A:HEC101 4.2 5.2 1.0 CB C:MET62 4.2 6.4 1.0 C3A A:HEC101 4.2 5.1 1.0 C3D A:HEC101 4.2 5.2 1.0 C3C A:HEC101 4.2 5.8 1.0 C3B A:HEC101 4.2 5.7 1.0 C2A A:HEC101 4.2 5.0 1.0 C2C A:HEC101 4.3 6.2 1.0 C2B A:HEC101 4.3 5.9 1.0

Iron binding site 2 out of 2 in the Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at C-Terminal Region


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Hydrogenobacter Thermophilus Cytochrome C552 Dimer Formed By Domain Swapping at C-Terminal Region within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe101 b:4.8 occ:1.00 FE C:HEC101 0.0 4.8 1.0 NC C:HEC101 2.0 5.2 1.0 ND C:HEC101 2.0 4.7 1.0 NB C:HEC101 2.0 4.8 1.0 NA C:HEC101 2.0 4.9 1.0 NE2 C:HIS14 2.0 4.3 1.0 SD A:MET62 2.3 5.3 1.0 CE1 C:HIS14 2.9 5.1 1.0 C4C C:HEC101 3.0 5.4 1.0 C1C C:HEC101 3.0 5.2 1.0 C1D C:HEC101 3.0 5.0 1.0 C4B C:HEC101 3.0 4.8 1.0 C4A C:HEC101 3.0 4.8 1.0 C4D C:HEC101 3.0 5.0 1.0 C1B C:HEC101 3.1 4.8 1.0 C1A C:HEC101 3.1 4.8 1.0 CD2 C:HIS14 3.1 4.5 1.0 CE A:MET62 3.4 5.2 1.0 CHC C:HEC101 3.4 5.2 1.0 CHD C:HEC101 3.4 4.9 1.0 CG A:MET62 3.4 5.0 1.0 CHB C:HEC101 3.4 4.9 1.0 CHA C:HEC101 3.4 4.5 1.0 ND1 C:HIS14 4.1 5.0 1.0 CB A:MET62 4.2 5.5 1.0 CG C:HIS14 4.2 4.7 1.0 C3C C:HEC101 4.2 6.3 1.0 C2C C:HEC101 4.2 6.2 1.0 C2D C:HEC101 4.3 5.8 1.0 C2B C:HEC101 4.3 5.2 1.0 C3B C:HEC101 4.3 5.1 1.0 C3A C:HEC101 4.3 4.9 1.0 C3D C:HEC101 4.3 5.6 1.0 C2A C:HEC101 4.3 5.0 1.0

C.Ren, S.Nagao, M.Yamanaka, H.Komori, Y.Shomura, Y.Higuchi, S.Hirota. Oligomerization Enhancement and Two Domain Swapping Mode Detection For Thermostable Cytochrome C552VIA the Elongation of the Major Hinge Loop. Mol Biosyst V. 11 3218 2015.
ISSN: ESSN 1742-2051
PubMed: 26451671
DOI: 10.1039/C5MB00545K