Calcium in PDB 3a0b: Crystal Structure of Br-Substituted Photosystem II Complex

The structure of Crystal Structure of Br-Substituted Photosystem II Complex, PDB code: 3a0b 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)	34.70 / 3.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	130.589, 226.394, 307.514, 90.00, 90.00, 90.00
R / Rfree (%)	30.2 / 35.8

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

Bromine	(Br)	4 atoms
Magnesium	(Mg)	70 atoms
Manganese	(Mn)	8 atoms
Iron	(Fe)	6 atoms

The binding sites of Calcium atom in the Crystal Structure of Br-Substituted Photosystem II Complex (pdb code 3a0b). 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 Br-Substituted Photosystem II Complex, PDB code: 3a0b:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Br-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 Br-Substituted Photosystem II Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1001 b:0.0 occ:1.00 CA1 A:OEC1001 0.0 0.0 1.0 OXT A:ALA344 2.8 0.9 1.0 OE1 A:GLU189 2.9 0.1 1.0 OD1 A:ASP170 2.9 0.7 1.0 O A:ALA344 3.0 0.8 1.0 C A:ALA344 3.0 0.8 1.0 CG A:ASP170 3.1 0.2 1.0 OD2 A:ASP170 3.3 0.1 1.0 MN3 A:OEC1001 3.3 0.5 1.0 MN1 A:OEC1001 3.6 79.0 1.0 NH2 C:ARG357 3.9 0.1 1.0 CB A:ASP170 3.9 0.1 1.0 MN2 A:OEC1001 4.0 0.2 1.0 CA A:ALA344 4.1 0.5 1.0 CD A:GLU189 4.1 1.0 1.0 MN4 A:OEC1001 4.2 94.2 1.0 OE2 A:GLU333 4.3 0.2 1.0 CG A:GLN165 4.7 0.6 1.0 OE2 A:GLU189 4.7 0.8 1.0 OH A:TYR161 4.7 0.4 1.0 CB A:ALA344 4.8 0.6 1.0 CG1 A:VAL185 4.8 0.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Br-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 Br-Substituted Photosystem II Complex within 5.0Å range: probe atom residue distance (Å) B Occ a:Ca6001 b:0.8 occ:1.00 CA1 a:OEC6001 0.0 0.8 1.0 OXT a:ALA5344 2.7 0.5 1.0 C a:ALA5344 2.8 0.7 1.0 OD1 a:ASP5170 3.0 0.2 1.0 MN3 a:OEC6001 3.0 0.9 1.0 OE1 a:GLU5189 3.1 0.8 1.0 O a:ALA5344 3.2 0.8 1.0 CG a:ASP5170 3.3 0.2 1.0 MN1 a:OEC6001 3.3 88.0 1.0 CA a:ALA5344 3.6 0.2 1.0 OD2 a:ASP5170 3.6 0.9 1.0 NH2 c:ARG5357 3.8 0.3 1.0 CG a:GLN5165 4.1 0.8 1.0 CB a:ASP5170 4.1 0.7 1.0 CD a:GLU5189 4.2 0.7 1.0 CB a:ALA5344 4.3 0.5 1.0 MN2 a:OEC6001 4.3 94.7 1.0 MN4 a:OEC6001 4.4 0.6 1.0 OE2 a:GLU5333 4.5 0.4 1.0 OH a:TYR5161 4.6 0.6 1.0 CD a:GLN5165 4.8 0.7 1.0 N a:ALA5344 4.8 0.8 1.0 CB a:GLN5165 4.8 0.4 1.0 OE2 a:GLU5189 4.9 0.5 1.0 CG1 a:VAL5185 4.9 0.2 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