Iron in PDB 5xed: Heterodimer Constructed From M61A Pa Cyt C551-Ht Cyt C552 and Ht Cyt C552-Pa Cyt C551 Chimeric Proteins

The structure of Heterodimer Constructed From M61A Pa Cyt C551-Ht Cyt C552 and Ht Cyt C552-Pa Cyt C551 Chimeric Proteins, PDB code: 5xed was solved by M.Zhang, T.Nakanishi, M.Yamanaka, S.Nagao, S.Yanagisawa, Y.Shomura, N.Shibata, T.Ogura, Y.Higuchi, S.Hirota, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.37 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	32.088, 65.912, 35.380, 90.00, 103.72, 90.00
R / Rfree (%)	20.9 / 23.8

The binding sites of Iron atom in the Heterodimer Constructed From M61A Pa Cyt C551-Ht Cyt C552 and Ht Cyt C552-Pa Cyt C551 Chimeric Proteins (pdb code 5xed). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Heterodimer Constructed From M61A Pa Cyt C551-Ht Cyt C552 and Ht Cyt C552-Pa Cyt C551 Chimeric Proteins, PDB code: 5xed:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Heterodimer Constructed From M61A Pa Cyt C551-Ht Cyt C552 and Ht Cyt C552-Pa Cyt C551 Chimeric Proteins


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Heterodimer Constructed From M61A Pa Cyt C551-Ht Cyt C552 and Ht Cyt C552-Pa Cyt C551 Chimeric Proteins within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe101 b:10.0 occ:1.00 FE C:HEC101 0.0 10.0 1.0 ND C:HEC101 1.9 10.3 1.0 NA C:HEC101 2.0 9.1 1.0 NC C:HEC101 2.0 9.4 1.0 NE2 A:HIS16 2.0 10.3 1.0 NB C:HEC101 2.1 10.0 1.0 SD C:MET59 2.3 9.7 1.0 CE1 A:HIS16 2.9 10.9 1.0 C1D C:HEC101 3.0 9.1 1.0 C4A C:HEC101 3.0 8.8 1.0 C4C C:HEC101 3.0 9.8 1.0 C1C C:HEC101 3.0 10.4 1.0 C4D C:HEC101 3.0 9.3 1.0 C1B C:HEC101 3.1 8.7 1.0 C1A C:HEC101 3.1 8.7 1.0 CD2 A:HIS16 3.1 10.5 1.0 C4B C:HEC101 3.1 9.3 1.0 CHB C:HEC101 3.4 9.3 1.0 CG C:MET59 3.4 10.2 1.0 CHD C:HEC101 3.4 9.3 1.0 CHC C:HEC101 3.4 10.7 1.0 CHA C:HEC101 3.4 8.4 1.0 CE C:MET59 3.4 8.0 1.0 CB C:MET59 4.1 10.0 1.0 ND1 A:HIS16 4.1 10.9 1.0 CG A:HIS16 4.2 10.9 1.0 C2C C:HEC101 4.2 10.4 1.0 C3A C:HEC101 4.2 8.4 1.0 C3C C:HEC101 4.2 10.9 1.0 C2A C:HEC101 4.2 9.3 1.0 C2D C:HEC101 4.2 8.6 1.0 C3D C:HEC101 4.3 9.2 1.0 C3B C:HEC101 4.3 10.0 1.0 C2B C:HEC101 4.3 9.6 1.0

Iron binding site 2 out of 2 in the Heterodimer Constructed From M61A Pa Cyt C551-Ht Cyt C552 and Ht Cyt C552-Pa Cyt C551 Chimeric Proteins


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Heterodimer Constructed From M61A Pa Cyt C551-Ht Cyt C552 and Ht Cyt C552-Pa Cyt C551 Chimeric Proteins within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe102 b:8.1 occ:1.00 FE C:HEC102 0.0 8.1 1.0 NA C:HEC102 2.0 8.5 1.0 O C:HOH220 2.0 6.6 1.0 ND C:HEC102 2.0 8.7 1.0 NC C:HEC102 2.0 9.1 1.0 NE2 C:HIS14 2.0 6.5 1.0 NB C:HEC102 2.0 7.6 1.0 CE1 C:HIS14 2.9 7.2 1.0 C4A C:HEC102 3.0 8.1 1.0 C4D C:HEC102 3.0 9.8 1.0 C1A C:HEC102 3.0 9.2 1.0 C1B C:HEC102 3.0 7.3 1.0 C1C C:HEC102 3.0 8.0 1.0 C1D C:HEC102 3.1 9.5 1.0 CD2 C:HIS14 3.1 7.4 1.0 C4B C:HEC102 3.1 7.2 1.0 C4C C:HEC102 3.1 8.6 1.0 CHC C:HEC102 3.4 7.7 1.0 CHB C:HEC102 3.4 7.0 1.0 CHA C:HEC102 3.4 9.2 1.0 CHD C:HEC102 3.4 9.3 1.0 ND1 C:HIS14 4.1 8.0 1.0 CG C:HIS14 4.2 7.3 1.0 O A:HOH128 4.2 13.7 1.0 C3A C:HEC102 4.2 7.8 1.0 C3C C:HEC102 4.2 8.7 1.0 C2B C:HEC102 4.2 6.8 1.0 C2D C:HEC102 4.3 11.4 1.0 C3D C:HEC102 4.3 10.2 1.0 C3B C:HEC102 4.3 6.7 1.0 C2A C:HEC102 4.3 9.2 1.0 C2C C:HEC102 4.3 8.4 1.0 O A:HOH114 4.3 16.9 1.0 CB A:ALA61 4.6 13.7 1.0

M.Zhang, T.Nakanishi, M.Yamanaka, S.Nagao, S.Yanagisawa, Y.Shomura, N.Shibata, T.Ogura, Y.Higuchi, S.Hirota. Rational Design of Domain-Swapping-Based C-Type Cytochrome Heterodimers By Using Chimeric Proteins. Chembiochem V. 18 1712 2017.
ISSN: ESSN 1439-7633
PubMed: 28660650
DOI: 10.1002/CBIC.201700219