Iron in PDB 8qk0: Crystal Structure of Cytochrome Domain 3 From Pgca

The structure of Crystal Structure of Cytochrome Domain 3 From Pgca, PDB code: 8qk0 was solved by B.W.Nash, M.J.Edwards, T.A.Clarke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.28 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	75.564, 55.033, 37.456, 90, 99.3, 90
R / Rfree (%)	22.1 / 26.3

The structure of Crystal Structure of Cytochrome Domain 3 From Pgca also contains other interesting chemical elements:

Sodium

(Na)

4 atoms

The binding sites of Iron atom in the Crystal Structure of Cytochrome Domain 3 From Pgca (pdb code 8qk0). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Cytochrome Domain 3 From Pgca, PDB code: 8qk0:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Cytochrome Domain 3 From Pgca


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Cytochrome Domain 3 From Pgca within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:13.9 occ:1.00 FE A:HEC101 0.0 13.9 1.0 NE2 A:HIS19 1.9 14.3 1.0 NB A:HEC101 2.0 16.3 1.0 ND A:HEC101 2.1 16.6 1.0 NA A:HEC101 2.1 15.1 1.0 NC A:HEC101 2.1 11.8 1.0 NE2 A:HIS51 2.3 17.0 1.0 CE1 A:HIS19 2.8 17.3 1.0 CD2 A:HIS19 2.9 15.2 1.0 C1B A:HEC101 3.0 15.6 1.0 C1D A:HEC101 3.1 16.5 1.0 C4A A:HEC101 3.1 20.2 1.0 C4D A:HEC101 3.1 18.8 1.0 CD2 A:HIS51 3.1 12.8 1.0 C4C A:HEC101 3.1 15.3 1.0 C4B A:HEC101 3.1 14.6 1.0 C1A A:HEC101 3.1 19.6 1.0 C1C A:HEC101 3.1 17.2 1.0 CE1 A:HIS51 3.3 17.1 1.0 CHB A:HEC101 3.4 19.0 1.0 CHD A:HEC101 3.4 14.5 1.0 CHA A:HEC101 3.5 18.6 1.0 CHC A:HEC101 3.5 13.9 1.0 ND1 A:HIS19 3.9 17.0 1.0 CG A:HIS19 4.0 16.1 1.0 C2B A:HEC101 4.3 15.3 1.0 C2D A:HEC101 4.3 20.6 1.0 CG A:HIS51 4.3 14.1 1.0 C3D A:HEC101 4.3 19.5 1.0 C3B A:HEC101 4.3 13.7 1.0 C3A A:HEC101 4.3 18.4 1.0 C3C A:HEC101 4.3 14.2 1.0 C2C A:HEC101 4.3 13.6 1.0 C2A A:HEC101 4.3 21.2 1.0 ND1 A:HIS51 4.4 18.1 1.0 CG A:LYS52 4.9 13.5 1.0 CB A:ALA30 4.9 16.5 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Cytochrome Domain 3 From Pgca


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Cytochrome Domain 3 From Pgca within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe101 b:13.0 occ:1.00 FE C:HEC101 0.0 13.0 1.0 NE2 C:HIS19 1.9 15.6 1.0 NA C:HEC101 2.0 13.5 1.0 NB C:HEC101 2.0 12.5 1.0 ND C:HEC101 2.1 15.7 1.0 NC C:HEC101 2.1 9.2 1.0 NE2 C:HIS51 2.3 17.2 1.0 CE1 C:HIS19 2.8 15.0 1.0 CD2 C:HIS19 3.0 15.2 1.0 C1B C:HEC101 3.0 15.6 1.0 C4A C:HEC101 3.0 17.8 1.0 C1A C:HEC101 3.0 18.7 1.0 CD2 C:HIS51 3.1 13.9 1.0 C4D C:HEC101 3.1 16.5 1.0 C4B C:HEC101 3.1 13.8 1.0 C1D C:HEC101 3.1 14.1 1.0 C1C C:HEC101 3.1 14.5 1.0 C4C C:HEC101 3.1 12.3 1.0 CHB C:HEC101 3.4 14.2 1.0 CHA C:HEC101 3.4 15.5 1.0 CE1 C:HIS51 3.4 16.1 1.0 CHD C:HEC101 3.5 12.5 1.0 CHC C:HEC101 3.5 12.1 1.0 ND1 C:HIS19 3.9 16.3 1.0 CG C:HIS19 4.1 13.4 1.0 C3A C:HEC101 4.2 15.0 1.0 C2A C:HEC101 4.2 17.4 1.0 C2B C:HEC101 4.3 14.6 1.0 CG C:HIS51 4.3 13.5 1.0 C3B C:HEC101 4.3 12.8 1.0 C3D C:HEC101 4.3 16.4 1.0 C2D C:HEC101 4.3 15.1 1.0 C2C C:HEC101 4.4 12.5 1.0 C3C C:HEC101 4.4 12.8 1.0 ND1 C:HIS51 4.4 17.8 1.0 CG C:LYS52 4.9 15.5 1.0 CB C:ALA30 4.9 15.2 1.0

B.W.Nash, T.M.Fernandes, J.A.J.Burton, L.Morgado, J.H.Van Wonderen, D.A.Svistunenko, M.J.Edwards, C.A.Salgueiro, J.N.Butt, T.A.Clarke. Tethered Heme Domains in A Triheme Cytochrome Allow For Increased Electron Transport Distances. Protein Sci. V. 33 E5200 2024.
ISSN: ESSN 1469-896X
PubMed: 39470321
DOI: 10.1002/PRO.5200