Chlorine in PDB 7cou: Structure of Cyanobacterial Photosystem II in the Dark S1 State

All present enzymatic activity of Structure of Cyanobacterial Photosystem II in the Dark S1 State:
1.10.3.9;

The structure of Structure of Cyanobacterial Photosystem II in the Dark S1 State, PDB code: 7cou was solved by H.Li, J.-R.Shen, M.Suga, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.97 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	126.15, 232.7, 288.25, 90, 90, 90
R / Rfree (%)	16.9 / 21.1

The structure of Structure of Cyanobacterial Photosystem II in the Dark S1 State 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 Structure of Cyanobacterial Photosystem II in the Dark S1 State (pdb code 7cou). 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 Cyanobacterial Photosystem II in the Dark S1 State, PDB code: 7cou:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Cyanobacterial Photosystem II in the Dark S1 State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Cyanobacterial Photosystem II in the Dark S1 State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:35.4 occ:1.00 NZ D:LYS317 3.1 34.4 1.0 O D:HOH558 3.1 36.1 1.0 O A:HOH598 3.3 41.0 1.0 ND2 A:ASN181 3.4 33.8 1.0 N A:GLU333 3.4 33.2 1.0 CE D:LYS317 3.8 33.7 1.0 CA A:HIS332 3.9 33.2 1.0 CB A:HIS332 3.9 33.3 1.0 CG A:GLU333 4.0 36.7 1.0 OD1 A:ASN181 4.1 38.1 1.0 C A:HIS332 4.1 33.4 1.0 CG A:ASN181 4.2 40.9 1.0 CG2 A:VAL185 4.3 33.0 1.0 O D:HOH538 4.3 35.4 1.0 CA A:GLU333 4.3 36.8 1.0 CD1 D:LEU321 4.4 36.5 1.0 O A:HOH585 4.5 40.1 1.0 CD2 D:LEU321 4.5 32.5 1.0 CB D:LYS317 4.6 36.2 1.0 CG D:LYS317 4.7 37.4 1.0 CB A:GLU333 4.8 35.2 1.0 CG D:LEU321 4.8 37.5 1.0 CG A:HIS332 4.8 44.2 1.0 CD D:LYS317 4.9 35.2 1.0 CD2 A:HIS332 4.9 36.2 1.0 O D:LYS317 4.9 37.3 1.0 CD A:GLU333 5.0 40.8 1.0 OE2 A:GLU333 5.0 43.4 1.0

Chlorine binding site 2 out of 4 in the Structure of Cyanobacterial Photosystem II in the Dark S1 State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Cyanobacterial Photosystem II in the Dark S1 State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:40.3 occ:1.00 O C:HOH722 3.0 38.0 1.0 O A:HOH600 3.1 41.7 1.0 N A:ASN338 3.1 41.0 1.0 N C:GLU354 3.4 37.0 1.0 CA A:HIS337 3.6 42.1 1.0 N A:PHE339 3.7 39.0 1.0 CD2 A:PHE339 3.9 42.7 1.0 C A:HIS337 3.9 44.1 1.0 CA C:GLY353 3.9 38.9 1.0 CB A:HIS337 4.1 42.8 1.0 CA A:ASN338 4.1 39.4 1.0 C C:GLY353 4.2 40.5 1.0 CB C:GLU354 4.2 36.3 1.0 O A:ALA336 4.2 41.5 1.0 O C:HOH731 4.3 38.5 1.0 CB A:PHE339 4.4 40.6 1.0 CA C:GLU354 4.4 36.6 1.0 C A:ASN338 4.4 40.3 1.0 CB A:ASN338 4.4 37.5 1.0 CG A:PHE339 4.5 39.7 1.0 CA A:PHE339 4.6 46.1 1.0 O A:PHE339 4.6 41.0 1.0 O A:HOH620 4.6 39.1 1.0 CE2 A:PHE339 4.7 38.9 1.0 N A:HIS337 4.8 38.2 1.0 CD2 A:HIS337 4.8 36.6 1.0 CG A:HIS337 4.8 41.9 1.0 N C:THR355 4.9 37.5 1.0 C A:ALA336 5.0 41.2 1.0

Chlorine binding site 3 out of 4 in the Structure of Cyanobacterial Photosystem II in the Dark S1 State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Cyanobacterial Photosystem II in the Dark S1 State within 5.0Å range: probe atom residue distance (Å) B Occ a:Cl402 b:42.9 occ:1.00 NZ d:LYS317 3.1 41.9 1.0 O d:HOH565 3.1 46.1 1.0 ND2 a:ASN181 3.3 36.1 1.0 O a:HOH536 3.5 40.9 1.0 N a:GLU333 3.5 40.5 1.0 CB a:HIS332 3.8 38.2 1.0 CE d:LYS317 3.9 39.9 1.0 CA a:HIS332 3.9 44.3 1.0 CG a:GLU333 4.0 40.8 1.0 OD1 a:ASN181 4.1 40.0 1.0 CG a:ASN181 4.1 37.0 1.0 CG2 a:VAL185 4.2 37.7 1.0 C a:HIS332 4.2 40.3 1.0 CD1 d:LEU321 4.3 37.3 1.0 O a:HOH527 4.3 42.1 1.0 CD2 d:LEU321 4.4 37.3 1.0 CA a:GLU333 4.4 38.8 1.0 O a:HOH586 4.5 43.6 1.0 CB d:LYS317 4.5 35.3 1.0 CG d:LEU321 4.6 44.8 1.0 CG a:HIS332 4.8 39.9 1.0 CG d:LYS317 4.8 40.5 1.0 CB a:GLU333 4.8 39.2 1.0 O d:LYS317 4.9 38.0 1.0 CD2 a:HIS332 4.9 40.0 1.0 OE2 a:GLU333 4.9 50.0 1.0 CD d:LYS317 5.0 43.5 1.0 CD a:GLU333 5.0 48.2 1.0

Chlorine binding site 4 out of 4 in the Structure of Cyanobacterial Photosystem II in the Dark S1 State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Cyanobacterial Photosystem II in the Dark S1 State within 5.0Å range: probe atom residue distance (Å) B Occ a:Cl403 b:44.1 occ:1.00 O c:HOH703 2.9 45.7 1.0 O a:HOH604 3.1 52.9 1.0 N a:ASN338 3.2 46.7 1.0 N c:GLU354 3.3 48.6 1.0 CA a:HIS337 3.6 41.5 1.0 N a:PHE339 3.7 44.3 1.0 CD2 a:PHE339 3.8 44.9 1.0 CA c:GLY353 3.8 42.8 1.0 C a:HIS337 3.9 44.9 1.0 C c:GLY353 4.1 42.5 1.0 CA a:ASN338 4.1 44.8 1.0 CB a:HIS337 4.1 41.5 1.0 CB c:GLU354 4.2 41.7 1.0 O a:ALA336 4.2 53.1 1.0 CA c:GLU354 4.3 47.6 1.0 CB a:ASN338 4.3 48.6 1.0 C a:ASN338 4.4 45.5 1.0 CB a:PHE339 4.4 45.0 1.0 CG a:PHE339 4.4 53.0 1.0 O c:HOH688 4.5 44.9 1.0 CE2 a:PHE339 4.5 48.7 1.0 CA a:PHE339 4.6 47.1 1.0 O a:PHE339 4.6 51.0 1.0 O a:HOH628 4.7 44.3 1.0 N a:HIS337 4.8 47.1 1.0 CG c:GLU354 4.9 49.8 1.0 CG a:HIS337 4.9 41.0 1.0 N c:THR355 4.9 43.1 1.0 CD2 a:HIS337 4.9 44.3 1.0 NE2 c:GLN313 4.9 46.3 1.0 O c:GLY352 4.9 44.2 1.0 C a:ALA336 4.9 45.6 1.0 CG a:ASN338 5.0 52.8 1.0

H.Li, , Y.Nakajima, T.Nomura, M.Sugahara, S.Yonekura, S.K.Chan, T.Nakane, T.Yamane, Y.Umena, M.Suzuki, T.Masuda, T.Motomura, H.Naitow, Y.Matsuura, T.Kimura, K.Tono, S.Owada, Y.Joti, R.Tanaka, E.Nango, F.Akita, M.Kubo, S.Iwata, J.R.Shen, M.Suga. Capturing Structural Changes of the S1 to S2 Transition of Photosystem II Using Time-Resolved Serial Femtosecond Crystallography Iucrj V. 81 2021.
ISSN: ESSN 2052-2525
DOI: 10.1107/S2052252521002177