Chlorine in PDB 4fby: Fs X-Ray Diffraction of Photosystem II

All present enzymatic activity of Fs X-Ray Diffraction of Photosystem II:
1.10.3.9;

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

Resolution Low / High (Å)	85.89 / 6.56
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	130.783, 227.764, 308.630, 90.00, 90.00, 90.00
R / Rfree (%)	36.6 / 38.5

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

Magnesium	(Mg)	70 atoms
Manganese	(Mn)	8 atoms
Iron	(Fe)	6 atoms
Calcium	(Ca)	4 atoms

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

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Fs X-Ray Diffraction of Photosystem II within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl411 b:0.1 occ:1.00 NZ D:LYS317 3.0 0.8 1.0 N A:GLU333 3.6 1.0 1.0 ND2 A:ASN181 3.8 0.0 1.0 OD1 A:ASN181 3.9 0.6 1.0 CA A:HIS332 4.0 0.2 1.0 CB A:HIS332 4.0 0.8 1.0 CE D:LYS317 4.2 0.2 1.0 CG D:LYS317 4.2 0.9 1.0 CD D:LYS317 4.2 0.3 1.0 C A:HIS332 4.3 0.1 1.0 CB D:LYS317 4.3 0.6 1.0 CG A:ASN181 4.3 0.7 1.0 CG A:GLU333 4.3 0.9 1.0 CA A:GLU333 4.5 0.5 1.0 CG2 A:VAL185 4.6 0.9 1.0 CD1 D:LEU321 4.7 0.6 1.0 CG D:LEU321 4.9 0.3 1.0 O D:LYS317 4.9 0.5 1.0 CD2 D:LEU321 5.0 0.1 1.0

Chlorine binding site 2 out of 2 in the Fs X-Ray Diffraction of Photosystem II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Fs X-Ray Diffraction of Photosystem II within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl415 b:0.8 occ:1.00 NZ Q:LYS317 3.2 0.3 1.0 N G:GLU333 3.3 0.7 1.0 CB G:HIS332 3.8 0.1 1.0 CA G:HIS332 3.8 0.2 1.0 CG G:GLU333 3.9 0.7 1.0 OD1 G:ASN181 3.9 0.5 1.0 ND2 G:ASN181 4.0 0.7 1.0 C G:HIS332 4.0 0.7 1.0 CA G:GLU333 4.2 0.1 1.0 CG2 G:VAL185 4.4 0.7 1.0 CG G:ASN181 4.4 0.5 1.0 CE Q:LYS317 4.5 0.2 1.0 CD Q:LYS317 4.6 0.1 1.0 CG Q:LYS317 4.6 0.7 1.0 CB Q:LYS317 4.7 0.3 1.0 CB G:GLU333 4.7 0.5 1.0 OE2 G:GLU333 4.7 0.8 1.0 CG G:HIS332 4.7 0.9 1.0 CD1 Q:LEU321 4.8 0.0 1.0 CD G:GLU333 4.9 0.8 1.0 CG Q:LEU321 5.0 0.6 1.0

J.Kern, R.Alonso-Mori, J.Hellmich, R.Tran, J.Hattne, H.Laksmono, C.Glockner, N.Echols, R.G.Sierra, J.Sellberg, B.Lassalle-Kaiser, R.J.Gildea, P.Glatzel, R.W.Grosse-Kunstleve, M.J.Latimer, T.A.Mcqueen, D.Difiore, A.R.Fry, M.Messerschmidt, A.Miahnahri, D.W.Schafer, M.M.Seibert, D.Sokaras, T.C.Weng, P.H.Zwart, W.E.White, P.D.Adams, M.J.Bogan, S.Boutet, G.J.Williams, J.Messinger, N.K.Sauter, A.Zouni, U.Bergmann, J.Yano, V.K.Yachandra. Room Temperature Femtosecond X-Ray Diffraction of Photosystem II Microcrystals. Proc.Natl.Acad.Sci.Usa V. 109 9721 2012.
ISSN: ISSN 0027-8424
PubMed: 22665786
DOI: 10.1073/PNAS.1204598109