Iron in PDB 5vjt: De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) Cations

The structure of De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) Cations, PDB code: 5vjt was solved by N.M.Ennist, S.E.Stayrook, P.L.Dutton, C.C.Moser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.21 / 1.45
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.747, 43.747, 245.522, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 23.6

The structure of De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) Cations also contains other interesting chemical elements:

Chlorine	(Cl)	3 atoms
Zinc	(Zn)	2 atoms

The binding sites of Iron atom in the De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) Cations (pdb code 5vjt). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) Cations, PDB code: 5vjt:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) Cations


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) Cations within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe203 b:16.2 occ:0.50 FE A:HEM203 0.0 16.2 0.5 FE A:HEM203 0.0 16.2 0.5 NE2 A:HIS110 1.9 14.2 1.0 NE2 A:HIS9 1.9 16.3 1.0 ND A:HEM203 1.9 17.2 0.5 ND A:HEM203 1.9 17.3 0.5 NA A:HEM203 2.0 17.3 0.5 NA A:HEM203 2.0 16.9 0.5 NB A:HEM203 2.0 16.7 0.5 NC A:HEM203 2.0 17.8 0.5 NB A:HEM203 2.1 14.6 0.5 NC A:HEM203 2.1 15.5 0.5 CD2 A:HIS9 2.9 15.3 1.0 CD2 A:HIS110 2.9 13.4 1.0 C4D A:HEM203 2.9 18.5 0.5 C1D A:HEM203 2.9 16.9 0.5 C4D A:HEM203 3.0 18.0 0.5 CE1 A:HIS110 3.0 13.4 1.0 CE1 A:HIS9 3.0 17.2 1.0 C1D A:HEM203 3.0 15.5 0.5 C4C A:HEM203 3.0 17.4 0.5 C1B A:HEM203 3.0 16.3 0.5 C1A A:HEM203 3.0 18.5 0.5 C4B A:HEM203 3.0 16.4 0.5 C4A A:HEM203 3.0 16.1 0.5 C4B A:HEM203 3.0 15.1 0.5 C1A A:HEM203 3.0 17.7 0.5 C4C A:HEM203 3.1 15.7 0.5 C1B A:HEM203 3.1 14.5 0.5 C4A A:HEM203 3.1 14.8 0.5 C1C A:HEM203 3.1 17.2 0.5 C1C A:HEM203 3.1 15.8 0.5 CHD A:HEM203 3.4 16.5 0.5 CHB A:HEM203 3.4 15.4 0.5 CHA A:HEM203 3.4 18.3 0.5 CHA A:HEM203 3.4 18.3 0.5 CHD A:HEM203 3.5 14.6 0.5 CHC A:HEM203 3.5 15.8 0.5 CHC A:HEM203 3.5 15.7 0.5 CHB A:HEM203 3.5 13.7 0.5 ND1 A:HIS110 4.1 14.6 1.0 ND1 A:HIS9 4.1 18.0 1.0 CG A:HIS110 4.1 14.3 1.0 CG A:HIS9 4.1 17.6 1.0 C3D A:HEM203 4.2 16.8 0.5 C2A A:HEM203 4.2 16.4 0.5 C3C A:HEM203 4.2 19.4 0.5 C2D A:HEM203 4.2 18.6 0.5 C3D A:HEM203 4.2 18.2 0.5 C2B A:HEM203 4.2 17.1 0.5 C2A A:HEM203 4.2 17.6 0.5 C3A A:HEM203 4.2 17.4 0.5 C2D A:HEM203 4.3 16.7 0.5 C3A A:HEM203 4.3 15.9 0.5 C2C A:HEM203 4.3 19.0 0.5 C3C A:HEM203 4.3 15.3 0.5 C3B A:HEM203 4.3 17.7 0.5 C2B A:HEM203 4.3 13.6 0.5 C2C A:HEM203 4.3 15.0 0.5 C3B A:HEM203 4.3 14.0 0.5

Iron binding site 2 out of 2 in the De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) Cations


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) Cations within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe203 b:16.2 occ:0.50 FE A:HEM203 0.0 16.2 0.5 FE A:HEM203 0.0 16.2 0.5 NE2 A:HIS110 1.9 14.2 1.0 NE2 A:HIS9 1.9 16.3 1.0 ND A:HEM203 1.9 17.2 0.5 ND A:HEM203 2.0 17.3 0.5 NA A:HEM203 2.0 17.3 0.5 NA A:HEM203 2.0 16.9 0.5 NB A:HEM203 2.1 16.7 0.5 NC A:HEM203 2.1 17.8 0.5 NB A:HEM203 2.1 14.6 0.5 NC A:HEM203 2.1 15.5 0.5 CD2 A:HIS9 2.9 15.3 1.0 C4D A:HEM203 2.9 18.5 0.5 CD2 A:HIS110 2.9 13.4 1.0 C1D A:HEM203 3.0 16.9 0.5 C1D A:HEM203 3.0 15.5 0.5 CE1 A:HIS9 3.0 17.2 1.0 C4D A:HEM203 3.0 18.0 0.5 CE1 A:HIS110 3.0 13.4 1.0 C1A A:HEM203 3.0 18.5 0.5 C4B A:HEM203 3.0 16.4 0.5 C4C A:HEM203 3.0 17.4 0.5 C1B A:HEM203 3.0 16.3 0.5 C4B A:HEM203 3.0 15.1 0.5 C1A A:HEM203 3.1 17.7 0.5 C4C A:HEM203 3.1 15.7 0.5 C1B A:HEM203 3.1 14.5 0.5 C4A A:HEM203 3.1 16.1 0.5 C4A A:HEM203 3.1 14.8 0.5 C1C A:HEM203 3.1 17.2 0.5 C1C A:HEM203 3.1 15.8 0.5 CHD A:HEM203 3.4 16.5 0.5 CHA A:HEM203 3.4 18.3 0.5 CHB A:HEM203 3.4 15.4 0.5 CHA A:HEM203 3.4 18.3 0.5 CHD A:HEM203 3.4 14.6 0.5 CHC A:HEM203 3.5 15.8 0.5 CHC A:HEM203 3.5 15.7 0.5 CHB A:HEM203 3.5 13.7 0.5 ND1 A:HIS110 4.1 14.6 1.0 ND1 A:HIS9 4.1 18.0 1.0 CG A:HIS9 4.1 17.6 1.0 CG A:HIS110 4.1 14.3 1.0 C3D A:HEM203 4.2 16.8 0.5 C2A A:HEM203 4.2 16.4 0.5 C2D A:HEM203 4.2 16.7 0.5 C2D A:HEM203 4.2 18.6 0.5 C3C A:HEM203 4.2 19.4 0.5 C3D A:HEM203 4.2 18.2 0.5 C2A A:HEM203 4.2 17.6 0.5 C3A A:HEM203 4.2 15.9 0.5 C3A A:HEM203 4.3 17.4 0.5 C2B A:HEM203 4.3 17.1 0.5 C3C A:HEM203 4.3 15.3 0.5 C2B A:HEM203 4.3 13.6 0.5 C2C A:HEM203 4.3 19.0 0.5 C3B A:HEM203 4.3 17.7 0.5 C2C A:HEM203 4.3 15.0 0.5 C3B A:HEM203 4.3 14.0 0.5

N.M.Ennist, Z.Zhao, S.E.Stayrook, P.L.Dutton, C.C.Moser. Design, Structure, and Action of An Artificial Photosynthetic Reaction Center Protein To Be Published.