Chlorine in PDB 4il6: Structure of Sr-Substituted Photosystem II

All present enzymatic activity of Structure of Sr-Substituted Photosystem II:
1.10.3.9;

The structure of Structure of Sr-Substituted Photosystem II, PDB code: 4il6 was solved by F.H.M.Koua, Y.Umena, K.Kawakami, N.Kamiya, J.R.Shen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.96 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	121.860, 228.790, 285.760, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 20.5

The structure of Structure of Sr-Substituted Photosystem II also contains other interesting chemical elements:

Strontium	(Sr)	2 atoms
Magnesium	(Mg)	74 atoms
Manganese	(Mn)	8 atoms
Iron	(Fe)	6 atoms

The binding sites of Chlorine atom in the Structure of Sr-Substituted Photosystem II (pdb code 4il6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Sr-Substituted Photosystem II, PDB code: 4il6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Sr-Substituted Photosystem II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Sr-Substituted Photosystem II within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1003 b:25.2 occ:1.00 O D:HOH547 3.0 26.6 1.0 NZ D:LYS317 3.1 22.1 1.0 ND2 A:ASN181 3.3 22.1 1.0 O A:HOH1169 3.3 32.3 1.0 N A:GLU333 3.4 21.4 1.0 CB A:HIS332 3.8 20.6 1.0 CA A:HIS332 3.8 21.1 1.0 CE D:LYS317 4.0 20.8 1.0 C A:HIS332 4.1 20.9 1.0 CG A:GLU333 4.1 21.8 1.0 CG A:ASN181 4.2 22.3 1.0 OD1 A:ASN181 4.2 21.9 1.0 CD2 D:LEU321 4.2 18.4 1.0 CG2 A:VAL185 4.3 19.6 1.0 CB D:LYS317 4.3 20.9 1.0 CD1 D:LEU321 4.4 19.3 1.0 CA A:GLU333 4.4 21.8 1.0 O A:HOH1143 4.5 26.4 1.0 O A:HOH1149 4.5 24.8 1.0 CG D:LEU321 4.6 19.6 1.0 CG D:LYS317 4.6 20.8 1.0 O D:LYS317 4.8 21.3 1.0 CB A:GLU333 4.8 21.5 1.0 OE2 A:GLU333 4.9 22.8 1.0 CG A:HIS332 4.9 21.1 1.0 CD A:GLU333 4.9 21.7 1.0 CD D:LYS317 4.9 21.2 1.0 O D:HOH565 5.0 32.9 1.0

Chlorine binding site 2 out of 4 in the Structure of Sr-Substituted Photosystem II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Sr-Substituted Photosystem II within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1004 b:22.2 occ:1.00 O C:HOH604 2.8 22.5 1.0 N A:ASN338 3.2 23.6 1.0 O A:HOH1146 3.2 22.5 1.0 N C:GLU354 3.5 24.0 1.0 CD2 A:PHE339 3.6 23.5 1.0 N A:PHE339 3.7 24.0 1.0 CA A:HIS337 3.8 24.0 1.0 CA C:GLY353 3.9 24.6 1.0 C A:HIS337 4.0 23.7 1.0 CA A:ASN338 4.1 24.5 1.0 C C:GLY353 4.2 24.6 1.0 O A:ALA336 4.2 23.0 1.0 CB A:ASN338 4.2 24.2 1.0 CB C:GLU354 4.3 24.4 1.0 O C:HOH632 4.3 21.0 1.0 CG A:PHE339 4.3 23.8 1.0 CE2 A:PHE339 4.3 23.5 1.0 CB A:PHE339 4.4 23.7 1.0 C A:ASN338 4.4 24.2 1.0 CB A:HIS337 4.4 23.1 1.0 CA C:GLU354 4.5 23.8 1.0 O C:HOH642 4.5 24.2 1.0 CA A:PHE339 4.6 23.8 1.0 CG C:GLU354 4.6 25.2 1.0 O A:PHE339 4.7 23.6 1.0 CD2 A:HIS337 4.9 24.0 1.0 N C:THR355 4.9 23.4 1.0 N A:HIS337 4.9 23.4 1.0 NE2 C:GLN313 5.0 22.1 1.0 CG A:ASN338 5.0 25.9 1.0

Chlorine binding site 3 out of 4 in the Structure of Sr-Substituted Photosystem II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Sr-Substituted Photosystem II within 5.0Å range: probe atom residue distance (Å) B Occ a:Cl405 b:26.7 occ:1.00 O d:HOH576 3.0 27.4 1.0 NZ d:LYS317 3.3 26.3 1.0 O a:HOH585 3.3 30.5 1.0 N a:GLU333 3.4 24.7 1.0 ND2 a:ASN181 3.4 23.1 1.0 CB a:HIS332 3.7 25.2 1.0 CA a:HIS332 3.7 25.5 1.0 C a:HIS332 4.0 25.2 1.0 CG a:GLU333 4.1 24.7 1.0 CE d:LYS317 4.1 25.4 1.0 OD1 a:ASN181 4.1 23.6 1.0 CG a:ASN181 4.2 24.0 1.0 CD2 d:LEU321 4.2 22.9 1.0 CG2 a:VAL185 4.2 22.6 1.0 CA a:GLU333 4.4 24.9 1.0 CD1 d:LEU321 4.4 22.7 1.0 CB d:LYS317 4.5 24.3 1.0 O d:HOH561 4.5 31.6 1.0 O a:HOH564 4.5 25.4 1.0 CG d:LEU321 4.5 23.0 1.0 CG a:HIS332 4.8 26.6 1.0 O d:LYS317 4.8 23.9 1.0 CG d:LYS317 4.8 25.1 1.0 CB a:GLU333 4.8 24.5 1.0 O d:HOH579 4.9 30.8 1.0 CD a:GLU333 4.9 25.2 1.0 OE2 a:GLU333 4.9 26.1 1.0

Chlorine binding site 4 out of 4 in the Structure of Sr-Substituted Photosystem II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Sr-Substituted Photosystem II within 5.0Å range: probe atom residue distance (Å) B Occ a:Cl406 b:27.8 occ:1.00 O c:HOH604 2.9 24.4 1.0 O a:HOH586 3.0 30.5 1.0 N a:ASN338 3.2 28.0 1.0 N c:GLU354 3.4 25.9 1.0 CD2 a:PHE339 3.7 26.0 1.0 N a:PHE339 3.7 28.1 1.0 CA a:HIS337 3.7 26.7 1.0 CA c:GLY353 3.8 26.1 1.0 C a:HIS337 4.0 27.4 1.0 C c:GLY353 4.1 26.2 1.0 O a:ALA336 4.1 25.7 1.0 CA a:ASN338 4.1 28.6 1.0 CB c:GLU354 4.2 26.5 1.0 CB a:ASN338 4.3 29.4 1.0 CB a:HIS337 4.3 26.4 1.0 CG a:PHE339 4.4 26.5 1.0 CB a:PHE339 4.4 26.7 1.0 CA c:GLU354 4.4 26.5 1.0 CE2 a:PHE339 4.4 25.7 1.0 O c:HOH612 4.4 24.8 1.0 C a:ASN338 4.4 28.6 1.0 O c:HOH648 4.6 28.4 1.0 CA a:PHE339 4.6 27.2 1.0 CG c:GLU354 4.6 27.4 1.0 O a:PHE339 4.7 27.6 1.0 N a:HIS337 4.8 25.9 1.0 CD2 a:HIS337 4.9 27.2 1.0 C a:ALA336 4.9 26.8 1.0 N c:THR355 4.9 26.0 1.0 CG a:ASN338 5.0 29.9 1.0 O c:HOH653 5.0 23.5 1.0 CG a:HIS337 5.0 26.8 1.0 O c:GLY352 5.0 26.0 1.0

F.H.Koua, Y.Umena, K.Kawakami, J.R.Shen. Structure of Sr-Substituted Photosystem II at 2.1 A Resolution and Its Implications in the Mechanism of Water Oxidation Proc.Natl.Acad.Sci.Usa V. 110 3889 2013.
ISSN: ISSN 0027-8424
PubMed: 23426624
DOI: 10.1073/PNAS.1219922110