Chlorine in PDB 3wu2: Crystal Structure Analysis of Photosystem II Complex

The structure of Crystal Structure Analysis of Photosystem II Complex, PDB code: 3wu2 was solved by Y.Umena, K.Kawakami, J.R.Shen, N.Kamiya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	122.190, 228.510, 286.400, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 19.4

The structure of Crystal Structure Analysis of Photosystem II Complex also contains other interesting chemical elements:

Magnesium	(Mg)	72 atoms
Manganese	(Mn)	8 atoms
Iron	(Fe)	6 atoms
Calcium	(Ca)	9 atoms

The binding sites of Chlorine atom in the Crystal Structure Analysis of Photosystem II Complex (pdb code 3wu2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure Analysis of Photosystem II Complex, PDB code: 3wu2:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure Analysis of Photosystem II Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Analysis of Photosystem II Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:25.4 occ:1.00 O D:HOH531 3.0 25.5 1.0 ND2 A:ASN181 3.3 19.3 1.0 NZ D:LYS317 3.3 26.2 1.0 N A:GLU333 3.4 21.2 1.0 O A:HOH609 3.6 28.4 1.0 CB A:HIS332 3.7 19.3 1.0 CA A:HIS332 3.7 22.2 1.0 CE D:LYS317 3.9 21.6 1.0 CG A:GLU333 4.0 21.7 1.0 C A:HIS332 4.1 21.6 1.0 OD1 A:ASN181 4.1 23.3 1.0 CG A:ASN181 4.1 21.5 1.0 CG2 A:VAL185 4.2 18.7 1.0 CD2 D:LEU321 4.2 18.7 1.0 CA A:GLU333 4.4 19.5 1.0 CB D:LYS317 4.4 18.2 1.0 CD1 D:LEU321 4.4 18.3 1.0 O A:HOH621 4.5 25.3 1.0 CG D:LEU321 4.5 19.0 1.0 O A:HOH539 4.6 24.6 1.0 CG D:LYS317 4.7 20.7 1.0 CG A:HIS332 4.8 19.1 1.0 O D:LYS317 4.8 20.1 1.0 OE2 A:GLU333 4.8 22.2 1.0 CB A:GLU333 4.8 21.6 1.0 CD A:GLU333 4.9 20.7 1.0 CD D:LYS317 4.9 18.9 1.0 O D:HOH586 5.0 38.1 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure Analysis of Photosystem II Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure Analysis of Photosystem II Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:22.6 occ:1.00 O C:HOH605 2.9 22.6 1.0 O A:HOH505 3.2 25.5 1.0 N A:ASN338 3.2 22.4 1.0 N C:GLU354 3.3 21.3 1.0 N A:PHE339 3.7 21.0 1.0 CD2 A:PHE339 3.7 22.1 1.0 CA A:HIS337 3.7 21.8 1.0 CA C:GLY353 3.9 22.8 1.0 C A:HIS337 3.9 22.0 1.0 C C:GLY353 4.1 23.0 1.0 CA A:ASN338 4.1 21.0 1.0 O A:ALA336 4.2 21.7 1.0 CB C:GLU354 4.2 24.0 1.0 CB A:ASN338 4.3 24.4 1.0 CB A:HIS337 4.3 21.1 1.0 CA C:GLU354 4.3 20.3 1.0 CB A:PHE339 4.3 22.4 1.0 CG A:PHE339 4.4 22.8 1.0 O C:HOH601 4.4 24.2 1.0 C A:ASN338 4.4 21.5 1.0 CG C:GLU354 4.4 21.1 1.0 CE2 A:PHE339 4.5 22.6 1.0 CA A:PHE339 4.5 21.5 1.0 O C:HOH701 4.6 25.7 1.0 O A:PHE339 4.7 23.6 1.0 O C:GLY352 4.9 22.4 1.0 N A:HIS337 4.9 20.5 1.0 N C:THR355 4.9 20.1 1.0 CG A:ASN338 5.0 23.9 1.0 CD2 A:HIS337 5.0 20.1 1.0 C A:ALA336 5.0 23.2 1.0 NE2 C:GLN313 5.0 22.2 1.0 CG A:HIS337 5.0 20.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure Analysis of Photosystem II Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure Analysis of Photosystem II Complex within 5.0Å range: probe atom residue distance (Å) B Occ a:Cl406 b:29.5 occ:1.00 O d:HOH598 3.1 31.0 1.0 NZ d:LYS317 3.2 28.5 1.0 O a:HOH513 3.3 27.5 1.0 ND2 a:ASN181 3.4 20.3 1.0 N a:GLU333 3.4 20.9 1.0 CB a:HIS332 3.6 21.4 1.0 CA a:HIS332 3.7 21.1 1.0 CG a:GLU333 3.9 25.4 1.0 C a:HIS332 4.0 24.1 1.0 OD1 a:ASN181 4.1 25.1 1.0 CE d:LYS317 4.1 25.2 1.0 CG2 a:VAL185 4.1 23.7 1.0 CG a:ASN181 4.2 24.4 1.0 CD2 d:LEU321 4.3 19.3 1.0 CB d:LYS317 4.3 23.5 1.0 CA a:GLU333 4.4 24.0 1.0 CD1 d:LEU321 4.5 18.1 1.0 O a:HOH608 4.5 26.4 1.0 O a:HOH504 4.6 23.2 1.0 CG d:LEU321 4.6 18.8 1.0 CG a:HIS332 4.7 23.7 1.0 OE2 a:GLU333 4.7 25.1 1.0 CG d:LYS317 4.7 23.7 1.0 O d:LYS317 4.8 23.3 1.0 CB a:GLU333 4.8 24.9 1.0 CD a:GLU333 4.8 27.9 1.0 CD2 a:HIS332 4.9 22.9 1.0 O d:HOH561 5.0 35.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure Analysis of Photosystem II Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure Analysis of Photosystem II Complex within 5.0Å range: probe atom residue distance (Å) B Occ a:Cl407 b:27.4 occ:1.00 O c:HOH1028 3.0 24.4 1.0 N a:ASN338 3.1 25.5 1.0 O a:HOH619 3.1 27.2 1.0 N c:GLU354 3.3 22.9 1.0 N a:PHE339 3.6 25.7 1.0 CA a:HIS337 3.6 21.6 1.0 CD2 a:PHE339 3.7 27.3 1.0 CA c:GLY353 3.8 22.3 1.0 C a:HIS337 3.9 26.2 1.0 C c:GLY353 4.0 20.9 1.0 CA a:ASN338 4.1 25.8 1.0 O a:ALA336 4.2 24.3 1.0 CB a:HIS337 4.2 22.8 1.0 CB c:GLU354 4.3 26.3 1.0 CB a:ASN338 4.3 24.2 1.0 O c:HOH1012 4.3 24.6 1.0 CB a:PHE339 4.4 26.4 1.0 CE2 a:PHE339 4.4 27.8 1.0 CG a:PHE339 4.4 28.2 1.0 C a:ASN338 4.4 27.3 1.0 CA c:GLU354 4.4 24.9 1.0 CA a:PHE339 4.5 24.6 1.0 CG c:GLU354 4.6 26.3 1.0 O c:HOH1084 4.7 29.0 1.0 O a:PHE339 4.7 30.4 1.0 N a:HIS337 4.8 20.6 1.0 N c:THR355 4.9 26.2 1.0 C a:ALA336 4.9 23.2 1.0 CG a:HIS337 4.9 26.2 1.0 CD2 a:HIS337 4.9 24.6 1.0 CG a:ASN338 4.9 28.1 1.0 O c:GLY352 4.9 25.6 1.0

Y.Umena, K.Kawakami, J.-R.Shen, N.Kamiya. Crystal Structure of Oxygen-Evolving Photosystem II at A Resolution of 1.9 A Nature V. 473 55 2011.
ISSN: ISSN 0028-0836
PubMed: 21499260
DOI: 10.1038/NATURE09913