Chlorine in PDB 4ixr: Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated State

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

The structure of Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated State, PDB code: 4ixr 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)	82.97 / 5.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	131.976, 227.568, 306.994, 90.00, 90.00, 90.00
R / Rfree (%)	28.5 / 31.3

The structure of Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated 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, First Illuminated State (pdb code 4ixr). 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, First Illuminated State, PDB code: 4ixr:
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, First Illuminated 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, First Illuminated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl416 b:49.0 occ:1.00 NZ D:LYS317 3.3 59.0 1.0 ND2 A:ASN181 3.3 48.2 1.0 OD1 A:ASN181 3.7 46.3 1.0 N A:GLU333 3.7 55.8 1.0 CG A:ASN181 3.9 48.9 1.0 CB A:HIS332 4.1 59.5 1.0 CA A:HIS332 4.1 56.0 1.0 CB D:LYS317 4.2 46.9 1.0 CG A:GLU333 4.2 62.1 1.0 CD D:LYS317 4.2 54.7 1.0 CG D:LYS317 4.3 54.3 1.0 CE D:LYS317 4.4 60.1 1.0 C A:HIS332 4.5 57.4 1.0 CG2 A:VAL185 4.5 59.1 1.0 CD1 D:LEU321 4.6 45.6 1.0 CA A:GLU333 4.6 56.9 1.0 O D:LYS317 4.8 37.9 1.0 CG D:LEU321 4.8 46.8 1.0 CD2 D:LEU321 4.8 50.7 1.0 CA D:LYS317 5.0 48.3 1.0

Chlorine binding site 2 out of 2 in the Rt Fs X-Ray Diffraction of Photosystem II, First Illuminated 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, First Illuminated State within 5.0Å range: probe atom residue distance (Å) B Occ a:Cl418 b:49.0 occ:1.00 N a:GLU333 3.5 57.9 1.0 NZ d:LYS317 3.6 62.7 1.0 ND2 a:ASN181 3.6 52.7 1.0 CA a:HIS332 3.7 52.3 1.0 CB a:HIS332 3.8 51.0 1.0 C a:HIS332 4.1 55.6 1.0 OD1 a:ASN181 4.2 53.6 1.0 CB d:LYS317 4.3 49.1 1.0 CD1 d:LEU321 4.3 47.0 1.0 CD2 d:LEU321 4.3 49.1 1.0 CG a:ASN181 4.4 52.4 1.0 CG d:LEU321 4.4 48.4 1.0 CG d:LYS317 4.4 56.9 1.0 CG a:GLU333 4.5 70.7 1.0 O d:LYS317 4.5 39.9 1.0 CA a:GLU333 4.5 60.1 1.0 CD d:LYS317 4.6 55.4 1.0 CG2 a:VAL185 4.6 56.0 1.0 CE d:LYS317 4.7 59.5 1.0 C d:LYS317 4.9 46.7 1.0 CA d:LYS317 4.9 49.8 1.0 N a:HIS332 5.0 50.5 1.0 CG a:HIS332 5.0 53.0 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