Iron in PDB 4lji: Crystal Structure at 1.5 Angstrom Resolution of the PSBV2 Cytochrome From the Cyanobacterium Thermosynechococcus Elongatus

The structure of Crystal Structure at 1.5 Angstrom Resolution of the PSBV2 Cytochrome From the Cyanobacterium Thermosynechococcus Elongatus, PDB code: 4lji was solved by M.Suga, T.-L.Lai, M.Sugiura, J.-R.Shen, A.Boussac, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.38 / 1.51
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	38.421, 38.430, 47.779, 71.86, 82.22, 69.38
R / Rfree (%)	21.6 / 25.1

The structure of Crystal Structure at 1.5 Angstrom Resolution of the PSBV2 Cytochrome From the Cyanobacterium Thermosynechococcus Elongatus also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the Crystal Structure at 1.5 Angstrom Resolution of the PSBV2 Cytochrome From the Cyanobacterium Thermosynechococcus Elongatus (pdb code 4lji). 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 at 1.5 Angstrom Resolution of the PSBV2 Cytochrome From the Cyanobacterium Thermosynechococcus Elongatus, PDB code: 4lji:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure at 1.5 Angstrom Resolution of the PSBV2 Cytochrome From the Cyanobacterium Thermosynechococcus Elongatus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure at 1.5 Angstrom Resolution of the PSBV2 Cytochrome From the Cyanobacterium Thermosynechococcus Elongatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:13.3 occ:1.00 FE A:HEM301 0.0 13.3 1.0 ND A:HEM301 2.0 18.5 1.0 NA A:HEM301 2.0 11.3 1.0 NC A:HEM301 2.1 10.5 1.0 NB A:HEM301 2.1 19.6 1.0 NE2 A:HIS51 2.1 11.7 1.0 SG A:CYS101 2.2 14.6 1.0 C1D A:HEM301 2.9 11.3 1.0 C4D A:HEM301 3.0 13.0 1.0 C1A A:HEM301 3.0 11.5 1.0 C4C A:HEM301 3.0 18.1 1.0 C1B A:HEM301 3.0 10.5 1.0 C4A A:HEM301 3.1 12.7 1.0 CE1 A:HIS51 3.1 11.5 1.0 C4B A:HEM301 3.1 15.2 1.0 CD2 A:HIS51 3.1 15.5 1.0 C1C A:HEM301 3.1 14.6 1.0 CHD A:HEM301 3.4 16.3 1.0 CB A:CYS101 3.4 15.9 1.0 CHB A:HEM301 3.4 11.3 1.0 CHA A:HEM301 3.5 19.4 1.0 CHC A:HEM301 3.5 13.2 1.0 CA A:CYS101 4.1 17.7 1.0 ND1 A:HIS51 4.2 11.2 1.0 C2D A:HEM301 4.2 13.5 1.0 CG A:HIS51 4.2 10.3 1.0 C3A A:HEM301 4.2 14.4 1.0 C3C A:HEM301 4.2 18.0 1.0 C3D A:HEM301 4.2 16.3 1.0 C2A A:HEM301 4.2 14.0 1.0 C2C A:HEM301 4.2 16.1 1.0 C2B A:HEM301 4.3 10.4 1.0 C3B A:HEM301 4.3 10.7 1.0 N A:ARG102 4.6 23.5 1.0 NE2 A:GLN86 4.7 18.1 1.0 C A:CYS101 4.9 23.8 1.0

Iron binding site 2 out of 2 in the Crystal Structure at 1.5 Angstrom Resolution of the PSBV2 Cytochrome From the Cyanobacterium Thermosynechococcus Elongatus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure at 1.5 Angstrom Resolution of the PSBV2 Cytochrome From the Cyanobacterium Thermosynechococcus Elongatus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:13.6 occ:1.00 FE B:HEM301 0.0 13.6 1.0 ND B:HEM301 2.0 14.3 1.0 NA B:HEM301 2.0 12.8 1.0 NB B:HEM301 2.1 14.3 1.0 NC B:HEM301 2.1 12.8 1.0 NE2 B:HIS51 2.1 11.1 1.0 SG B:CYS101 2.2 15.3 1.0 C1D B:HEM301 3.0 14.7 1.0 C4D B:HEM301 3.0 15.1 1.0 C1B B:HEM301 3.0 11.2 1.0 C4C B:HEM301 3.0 14.9 1.0 C1A B:HEM301 3.0 12.7 1.0 C4A B:HEM301 3.0 16.3 1.0 C4B B:HEM301 3.1 16.0 1.0 CE1 B:HIS51 3.1 11.3 1.0 C1C B:HEM301 3.1 13.8 1.0 CD2 B:HIS51 3.2 14.2 1.0 CB B:CYS101 3.3 17.1 1.0 CHD B:HEM301 3.4 13.7 1.0 CHB B:HEM301 3.4 12.6 1.0 CHA B:HEM301 3.4 13.0 1.0 CHC B:HEM301 3.5 13.9 1.0 CA B:CYS101 4.1 14.8 1.0 ND1 B:HIS51 4.2 14.3 1.0 C2D B:HEM301 4.2 15.5 1.0 C2A B:HEM301 4.2 13.8 1.0 C3D B:HEM301 4.2 17.1 1.0 C2B B:HEM301 4.2 12.7 1.0 C3C B:HEM301 4.2 16.4 1.0 C3A B:HEM301 4.2 12.6 1.0 C2C B:HEM301 4.3 15.7 1.0 CG B:HIS51 4.3 11.2 1.0 C3B B:HEM301 4.3 13.9 1.0 N B:ARG102 4.6 17.6 1.0 NE2 B:GLN86 4.7 17.3 1.0 C B:CYS101 4.9 16.3 1.0 CE2 B:PHE85 4.9 15.9 1.0

M.Suga, T.-L.Lai, M.Sugiura, J.-R.Shen, A.Boussac. Crystal Structure at 1.5 Angstrom Resolution of the PSBV2 Cytochrome From the Cyanobacterium Thermosynechococcus Elongatus Febs Lett. V. 587 3267 2013.
ISSN: ISSN 0014-5793
PubMed: 23994160
DOI: 10.1016/J.FEBSLET.2013.08.023