Calcium in PDB 3a0h: Crystal Structure of I-Substituted Photosystem II Complex

The structure of Crystal Structure of I-Substituted Photosystem II Complex, PDB code: 3a0h was solved by K.Kawakami, Y.Umena, N.Kamiya, J.-R.Shen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 4.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	128.499, 224.702, 304.919, 90.00, 90.00, 90.00
R / Rfree (%)	29 / 32.6

The structure of Crystal Structure of I-Substituted Photosystem II Complex also contains other interesting chemical elements:

Magnesium	(Mg)	70 atoms
Manganese	(Mn)	8 atoms
Iodine	(I)	10 atoms
Iron	(Fe)	6 atoms

The binding sites of Calcium atom in the Crystal Structure of I-Substituted Photosystem II Complex (pdb code 3a0h). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of I-Substituted Photosystem II Complex, PDB code: 3a0h:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of I-Substituted Photosystem II Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of I-Substituted Photosystem II Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1001 b:0.6 occ:1.00 CA1 A:OEC1001 0.0 0.6 1.0 O A:ALA344 2.4 0.8 1.0 MN3 A:OEC1001 2.6 0.3 1.0 OXT A:ALA344 2.9 0.2 1.0 C A:ALA344 2.9 0.4 1.0 MN1 A:OEC1001 3.0 0.5 1.0 OE2 A:GLU189 3.1 1.0 1.0 OD2 A:ASP170 3.1 0.7 1.0 MN2 A:OEC1001 3.3 0.8 1.0 NH1 C:ARG357 3.4 0.1 1.0 CG A:ASP170 3.6 1.0 1.0 OE1 A:GLN165 3.6 0.4 1.0 OD1 A:ASP170 3.7 0.4 1.0 CD A:GLU189 4.0 0.5 1.0 NH2 C:ARG357 4.1 0.9 1.0 CZ C:ARG357 4.2 0.2 1.0 OE1 A:GLU189 4.2 0.5 1.0 CA A:ALA344 4.3 0.7 1.0 OE2 A:GLU333 4.3 0.5 1.0 MN4 A:OEC1001 4.3 0.3 1.0 OD1 A:ASP342 4.4 0.3 1.0 OE1 C:GLU354 4.4 0.2 1.0 OE2 C:GLU354 4.6 0.4 1.0 CB A:ASP170 4.7 0.0 1.0 CD A:GLN165 4.7 0.3 1.0 CD C:GLU354 4.8 0.2 1.0 OH A:TYR161 4.9 0.4 1.0 OE1 A:GLU333 5.0 0.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of I-Substituted Photosystem II Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of I-Substituted Photosystem II Complex within 5.0Å range: probe atom residue distance (Å) B Occ a:Ca6001 b:0.6 occ:1.00 CA1 a:OEC6001 0.0 0.6 1.0 O a:ALA5344 2.4 0.8 1.0 MN3 a:OEC6001 2.6 0.3 1.0 OXT a:ALA5344 2.9 0.2 1.0 C a:ALA5344 2.9 0.4 1.0 MN1 a:OEC6001 3.0 0.5 1.0 OE2 a:GLU5189 3.1 1.0 1.0 OD2 a:ASP5170 3.1 0.7 1.0 MN2 a:OEC6001 3.3 0.8 1.0 NH1 c:ARG5357 3.4 0.1 1.0 CG a:ASP5170 3.6 1.0 1.0 OE1 a:GLN5165 3.6 0.4 1.0 OD1 a:ASP5170 3.7 0.4 1.0 CD a:GLU5189 4.0 0.5 1.0 NH2 c:ARG5357 4.1 0.9 1.0 CZ c:ARG5357 4.2 0.2 1.0 OE1 a:GLU5189 4.2 0.5 1.0 CA a:ALA5344 4.3 0.7 1.0 OE2 a:GLU5333 4.3 0.5 1.0 MN4 a:OEC6001 4.3 0.3 1.0 OD1 a:ASP5342 4.4 0.3 1.0 OE1 c:GLU5354 4.4 0.2 1.0 OE2 c:GLU5354 4.6 0.4 1.0 CB a:ASP5170 4.7 0.0 1.0 CD a:GLN5165 4.7 0.3 1.0 CD c:GLU5354 4.8 0.2 1.0 OH a:TYR5161 4.9 0.4 1.0 OE1 a:GLU5333 5.0 0.6 1.0

K.Kawakami, Y.Umena, N.Kamiya, J.-R.Shen. Location of Chloride and Its Possible Functions in Oxygen-Evolving Photosystem II Revealed By X-Ray Crystallography Proc.Natl.Acad.Sci.Usa V. 106 8567 2009.
ISSN: ISSN 0027-8424
PubMed: 19433803
DOI: 10.1073/PNAS.0812797106