Chlorine in PDB 4ixq: Rt Fs X-Ray Diffraction of Photosystem II, Dark State

All present enzymatic activity of Rt Fs X-Ray Diffraction of Photosystem II, Dark State:
1.10.3.9;

The structure of Rt Fs X-Ray Diffraction of Photosystem II, Dark State, PDB code: 4ixq was solved by J.Kern, R.Alonso-Mori, R.Tran, J.Hattne, R.J.Gildea, N.Echols, C.Gloeckner, J.Hellmich, H.Laksmono, R.G.Sierra, B.Lassalle-Kaiser, S.Koroidov, A.Lampe, G.Han, S.Gul, D.Difiore, D.Milathianaki, A.R.Fry, A.Miahnahri, D.W.Schafer, M.Messerschmidt, M.M.Seibert, J.E.Koglin, D.Sokaras, T.-C.Weng, J.Sellberg, M.J.Latimer, R.W.Grosse-Kunstleve, P.H.Zwart, W.E.White, P.Glatzel, P.D.Adams, M.J.Bogan, G.J.Williams, S.Boutet, J.Messinger, A.Zouni, N.K.Sauter, V.K.Yachandra, U.Bergmann, J.Yano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	82.94 / 5.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	131.864, 227.511, 307.219, 90.00, 90.00, 90.00
R / Rfree (%)	27.7 / 31.4

The structure of Rt Fs X-Ray Diffraction of Photosystem II, Dark State also contains other interesting chemical elements:

Magnesium	(Mg)	70 atoms
Manganese	(Mn)	8 atoms
Iron	(Fe)	6 atoms
Calcium	(Ca)	6 atoms

The binding sites of Chlorine atom in the Rt Fs X-Ray Diffraction of Photosystem II, Dark State (pdb code 4ixq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Rt Fs X-Ray Diffraction of Photosystem II, Dark State, PDB code: 4ixq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Rt Fs X-Ray Diffraction of Photosystem II, Dark State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Rt Fs X-Ray Diffraction of Photosystem II, Dark State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl416 b:49.0 occ:1.00 ND2 A:ASN181 3.1 50.6 1.0 NZ D:LYS317 3.1 55.4 1.0 OD1 A:ASN181 3.8 36.2 1.0 N A:GLU333 3.9 50.8 1.0 CG A:ASN181 3.9 46.2 1.0 CB D:LYS317 4.0 52.5 1.0 CD D:LYS317 4.0 51.9 1.0 CG D:LYS317 4.1 57.3 1.0 CE D:LYS317 4.2 55.1 1.0 CA A:HIS332 4.3 55.4 1.0 CB A:HIS332 4.3 57.6 1.0 CG A:GLU333 4.5 66.0 1.0 CG2 A:VAL185 4.6 53.8 1.0 C A:HIS332 4.6 53.5 1.0 CD1 D:LEU321 4.6 43.7 1.0 CA A:GLU333 4.7 54.4 1.0 O D:LYS317 4.7 43.6 1.0 CG D:LEU321 4.9 47.9 1.0 CA D:LYS317 4.9 53.7 1.0 CD2 D:LEU321 4.9 51.0 1.0 C D:LYS317 5.0 51.2 1.0

Chlorine binding site 2 out of 2 in the Rt Fs X-Ray Diffraction of Photosystem II, Dark State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Rt Fs X-Ray Diffraction of Photosystem II, Dark State within 5.0Å range: probe atom residue distance (Å) B Occ d:Cl409 b:49.0 occ:1.00 NZ d:LYS317 3.5 63.4 1.0 N a:GLU333 3.5 53.7 1.0 ND2 a:ASN181 3.5 50.7 1.0 CA a:HIS332 3.9 48.8 1.0 CB a:HIS332 3.9 49.5 1.0 OD1 a:ASN181 3.9 51.9 1.0 CG a:ASN181 4.2 51.9 1.0 CG a:GLU333 4.2 65.0 1.0 C a:HIS332 4.2 51.5 1.0 CG2 a:VAL185 4.4 52.1 1.0 CB d:LYS317 4.4 45.5 1.0 CA a:GLU333 4.5 58.1 1.0 CG d:LYS317 4.5 52.1 1.0 CD d:LYS317 4.6 50.6 1.0 CD1 d:LEU321 4.6 50.8 1.0 CE d:LYS317 4.6 57.6 1.0 CD2 d:LEU321 4.7 51.1 1.0 CG d:LEU321 4.8 52.1 1.0 CG a:HIS332 4.9 50.8 1.0 O d:LYS317 5.0 39.1 1.0 CB a:GLU333 5.0 66.7 1.0

J.Kern, R.Alonso-Mori, R.Tran, J.Hattne, R.J.Gildea, N.Echols, C.Glockner, J.Hellmich, H.Laksmono, R.G.Sierra, B.Lassalle-Kaiser, S.Koroidov, A.Lampe, G.Han, S.Gul, D.Difiore, D.Milathianaki, A.R.Fry, A.Miahnahri, D.W.Schafer, M.Messerschmidt, M.M.Seibert, J.E.Koglin, D.Sokaras, T.C.Weng, J.Sellberg, M.J.Latimer, R.W.Grosse-Kunstleve, P.H.Zwart, W.E.White, P.Glatzel, P.D.Adams, M.J.Bogan, G.J.Williams, S.Boutet, J.Messinger, A.Zouni, N.K.Sauter, V.K.Yachandra, U.Bergmann, J.Yano. Simultaneous Femtosecond X-Ray Spectroscopy and Diffraction of Photosystem II at Room Temperature. Science V. 340 491 2013.
ISSN: ISSN 0036-8075
PubMed: 23413188
DOI: 10.1126/SCIENCE.1234273