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

The structure of Heterodimer Constructed From Pa Cyt C551-Ht Cyt C552 and Ht Cyt C552- Pa Cyt C551 Chimeric Proteins, PDB code: 5xec 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)	20.00 / 1.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	31.350, 72.540, 35.010, 90.00, 106.07, 90.00
R / Rfree (%)	17.5 / 19.7

The binding sites of Iron atom in the Heterodimer Constructed From Pa Cyt C551-Ht Cyt C552 and Ht Cyt C552- Pa Cyt C551 Chimeric Proteins (pdb code 5xec). 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 Pa Cyt C551-Ht Cyt C552 and Ht Cyt C552- Pa Cyt C551 Chimeric Proteins, PDB code: 5xec:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Heterodimer Constructed From 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 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:5.6 occ:1.00 FE C:HEC101 0.0 5.6 1.0 ND C:HEC101 1.9 5.6 1.0 NA C:HEC101 2.0 5.6 1.0 NE2 A:HIS16 2.0 6.0 1.0 NC C:HEC101 2.0 6.0 1.0 NB C:HEC101 2.1 5.5 1.0 SD C:MET59 2.3 5.7 1.0 CE1 A:HIS16 2.9 5.7 1.0 C1D C:HEC101 2.9 5.5 1.0 C4D C:HEC101 3.0 5.8 1.0 C1A C:HEC101 3.0 6.1 1.0 C4A C:HEC101 3.0 6.5 1.0 C4C C:HEC101 3.0 5.8 1.0 CD2 A:HIS16 3.0 6.0 1.0 C4B C:HEC101 3.0 5.8 1.0 C1B C:HEC101 3.0 5.8 1.0 C1C C:HEC101 3.0 6.4 1.0 CHD C:HEC101 3.4 5.3 1.0 CHA C:HEC101 3.4 6.4 1.0 CHB C:HEC101 3.4 6.6 1.0 CHC C:HEC101 3.4 6.5 1.0 CG C:MET59 3.4 5.3 1.0 CE C:MET59 3.5 5.6 1.0 ND1 A:HIS16 4.1 6.0 1.0 CB C:MET59 4.1 5.3 1.0 CG A:HIS16 4.1 6.4 1.0 C3A C:HEC101 4.2 8.9 1.0 C2A C:HEC101 4.2 7.9 1.0 C2D C:HEC101 4.2 5.4 1.0 C3C C:HEC101 4.2 6.7 1.0 C2C C:HEC101 4.2 6.8 1.0 C3D C:HEC101 4.3 5.7 1.0 C2B C:HEC101 4.3 6.7 1.0 C3B C:HEC101 4.3 6.3 1.0

Iron binding site 2 out of 2 in the Heterodimer Constructed From 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 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:4.7 occ:1.00 FE C:HEC102 0.0 4.7 1.0 NA C:HEC102 2.0 4.5 1.0 ND C:HEC102 2.0 4.7 1.0 NB C:HEC102 2.0 4.4 1.0 NC C:HEC102 2.0 4.5 1.0 NE2 C:HIS14 2.0 5.1 1.0 SD A:MET61 2.3 5.8 1.0 CE1 C:HIS14 3.0 4.7 1.0 C1B C:HEC102 3.0 4.5 1.0 C4B C:HEC102 3.0 4.5 1.0 C1D C:HEC102 3.0 4.8 1.0 C4D C:HEC102 3.0 4.9 1.0 C4A C:HEC102 3.0 4.9 1.0 C1A C:HEC102 3.0 4.8 1.0 C4C C:HEC102 3.0 4.7 1.0 C1C C:HEC102 3.1 4.6 1.0 CD2 C:HIS14 3.1 5.1 1.0 CHB C:HEC102 3.4 5.0 1.0 CHD C:HEC102 3.4 5.1 1.0 CHC C:HEC102 3.4 4.5 1.0 CHA C:HEC102 3.4 5.1 1.0 CG A:MET61 3.4 5.3 1.0 CE A:MET61 3.4 7.1 1.0 CB A:MET61 4.0 5.7 1.0 ND1 C:HIS14 4.1 5.5 1.0 CG C:HIS14 4.2 5.2 1.0 C2B C:HEC102 4.2 4.9 1.0 C3A C:HEC102 4.2 5.3 1.0 C3C C:HEC102 4.3 5.2 1.0 C2A C:HEC102 4.3 5.1 1.0 C2C C:HEC102 4.3 5.2 1.0 C3D C:HEC102 4.3 5.0 1.0 C3B C:HEC102 4.3 4.7 1.0 C2D C:HEC102 4.3 4.9 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