Iron in PDB 3x39: Domain-Swapped Dimer of Pseudomonas Aeruginosa Cytochrome C551

The structure of Domain-Swapped Dimer of Pseudomonas Aeruginosa Cytochrome C551, PDB code: 3x39 was solved by S.Nagao, M.Ueda, H.Osuka, H.Komori, H.Kamikubo, M.Kataoka, Y.Higuchi, S.Hirota, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.50
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.611, 82.611, 89.828, 90.00, 90.00, 120.00
R / Rfree (%)	13.9 / 18.8

The binding sites of Iron atom in the Domain-Swapped Dimer of Pseudomonas Aeruginosa Cytochrome C551 (pdb code 3x39). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Domain-Swapped Dimer of Pseudomonas Aeruginosa Cytochrome C551, PDB code: 3x39:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Domain-Swapped Dimer of Pseudomonas Aeruginosa Cytochrome C551


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Domain-Swapped Dimer of Pseudomonas Aeruginosa Cytochrome C551 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:16.8 occ:1.00 FE A:HEM101 0.0 16.8 1.0 ND A:HEM101 1.9 16.2 1.0 NA A:HEM101 2.0 15.1 1.0 NC A:HEM101 2.0 16.3 1.0 NE2 A:HIS16 2.0 18.4 1.0 NB A:HEM101 2.0 16.3 1.0 C1D A:HEM101 2.9 15.9 1.0 CE1 A:HIS16 3.0 16.7 1.0 C4D A:HEM101 3.0 16.9 1.0 C4A A:HEM101 3.0 16.2 1.0 C1B A:HEM101 3.0 17.2 1.0 C4C A:HEM101 3.0 16.3 1.0 C1A A:HEM101 3.0 15.7 1.0 C4B A:HEM101 3.0 17.0 1.0 CD2 A:HIS16 3.1 18.9 1.0 C1C A:HEM101 3.1 16.8 1.0 CHB A:HEM101 3.4 16.2 1.0 CHD A:HEM101 3.4 16.8 1.0 CHA A:HEM101 3.4 16.3 1.0 CHC A:HEM101 3.5 17.2 1.0 ND1 A:HIS16 4.1 17.8 1.0 CG A:HIS16 4.2 17.3 1.0 C3A A:HEM101 4.2 16.6 1.0 C2D A:HEM101 4.2 15.7 1.0 C3D A:HEM101 4.2 17.1 1.0 C2C A:HEM101 4.3 17.4 1.0 C2B A:HEM101 4.3 17.9 1.0 C2A A:HEM101 4.3 16.8 1.0 C3C A:HEM101 4.3 17.6 1.0 C3B A:HEM101 4.3 18.7 1.0

Iron binding site 2 out of 2 in the Domain-Swapped Dimer of Pseudomonas Aeruginosa Cytochrome C551


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Domain-Swapped Dimer of Pseudomonas Aeruginosa Cytochrome C551 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:16.1 occ:1.00 FE B:HEM101 0.0 16.1 1.0 ND B:HEM101 1.9 15.8 1.0 NA B:HEM101 2.0 15.6 1.0 NC B:HEM101 2.0 14.6 1.0 NB B:HEM101 2.0 16.8 1.0 NE2 B:HIS16 2.1 15.5 1.0 C1D B:HEM101 2.9 15.7 1.0 C4D B:HEM101 3.0 15.6 1.0 CE1 B:HIS16 3.0 15.2 1.0 C4A B:HEM101 3.0 17.3 1.0 C1A B:HEM101 3.0 16.6 1.0 C4B B:HEM101 3.0 16.5 1.0 C4C B:HEM101 3.0 15.9 1.0 C1B B:HEM101 3.0 17.1 1.0 C1C B:HEM101 3.0 15.8 1.0 CD2 B:HIS16 3.1 16.1 1.0 CHD B:HEM101 3.4 15.4 1.0 CHB B:HEM101 3.4 16.7 1.0 CHA B:HEM101 3.4 16.4 1.0 CHC B:HEM101 3.4 15.3 1.0 ND1 B:HIS16 4.1 16.2 1.0 CG B:HIS16 4.2 15.7 1.0 C3A B:HEM101 4.2 19.5 1.0 C2D B:HEM101 4.2 15.4 1.0 C2A B:HEM101 4.2 18.8 1.0 C3D B:HEM101 4.2 15.0 1.0 C2B B:HEM101 4.2 16.7 1.0 C2C B:HEM101 4.2 15.8 1.0 C3C B:HEM101 4.2 15.4 1.0 C3B B:HEM101 4.3 17.0 1.0

S.Nagao, M.Ueda, H.Osuka, H.Komori, H.Kamikubo, M.Kataoka, Y.Higuchi, S.Hirota. Domain-Swapped Dimer of Pseudomonas Aeruginosa Cytochrome C551: Structural Insights Into Domain Swapping of Cytochrome C Family Proteins Plos One V. 10 23653 2015.
ISSN: ESSN 1932-6203
PubMed: 25853415
DOI: 10.1371/JOURNAL.PONE.0123653