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Chlorine in PDB 4tnk: Rt Xfel Structure of Photosystem II 250 Microsec After the Third Illumination at 5.2 A Resolution

Enzymatic activity of Rt Xfel Structure of Photosystem II 250 Microsec After the Third Illumination at 5.2 A Resolution

All present enzymatic activity of Rt Xfel Structure of Photosystem II 250 Microsec After the Third Illumination at 5.2 A Resolution:
1.10.3.9;

Protein crystallography data

The structure of Rt Xfel Structure of Photosystem II 250 Microsec After the Third Illumination at 5.2 A Resolution, PDB code: 4tnk was solved by J.Kern, R.Tran, R.Alonso-Mori, S.Koroidov, N.Echols, J.Hattne, M.Ibrahim, S.Gul, H.Laksmono, R.G.Sierra, R.J.Gildea, G.Han, J.Hellmich, B.Lassalle-Kaiser, R.Chatterjee, A.Brewster, C.A.Stan, C.Gloeckner, A.Lampe, D.Difiore, D.Milathianaki, A.R.Fry, M.M.Seibert, J.E.Koglin, E.Gallo, J.Uhlig, D.Sokaras, T.-C.Weng, P.H.Zwart, D.E.Skinner, M.J.Bogan, M.Messerschmidt, P.Glatzel, G.J.Williams, S.Boutet, P.D.Adams, A.Zouni, J.Messinger, N.K.Sauter, 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) 68.41 / 5.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 132.615, 229.296, 306.825, 90.00, 90.00, 90.00
R / Rfree (%) 27.1 / 28.9

Other elements in 4tnk:

The structure of Rt Xfel Structure of Photosystem II 250 Microsec After the Third Illumination at 5.2 A Resolution also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Rt Xfel Structure of Photosystem II 250 Microsec After the Third Illumination at 5.2 A Resolution (pdb code 4tnk). 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 Xfel Structure of Photosystem II 250 Microsec After the Third Illumination at 5.2 A Resolution, PDB code: 4tnk:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4tnk

Go back to Chlorine Binding Sites List in 4tnk
Chlorine binding site 1 out of 2 in the Rt Xfel Structure of Photosystem II 250 Microsec After the Third Illumination at 5.2 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Rt Xfel Structure of Photosystem II 250 Microsec After the Third Illumination at 5.2 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl411

b:0.3
occ:1.00
ND2 A:ASN181 3.2 0.5 1.0
NZ D:LYS317 3.3 0.7 1.0
OD1 A:ASN181 3.7 0.9 1.0
CG A:ASN181 3.9 0.8 1.0
N A:GLU333 3.9 0.6 1.0
CB D:LYS317 3.9 0.7 1.0
CG D:LYS317 4.1 0.6 1.0
CD D:LYS317 4.1 0.4 1.0
CA A:HIS332 4.3 0.8 1.0
CE D:LYS317 4.3 0.7 1.0
CB A:HIS332 4.3 1.0 1.0
CD1 D:LEU321 4.4 1.0 1.0
CG2 A:VAL185 4.5 0.2 1.0
CG A:GLU333 4.6 0.4 1.0
O D:LYS317 4.6 0.5 1.0
C A:HIS332 4.6 0.6 1.0
CG D:LEU321 4.7 1.0 1.0
CD2 D:LEU321 4.7 0.9 1.0
CA D:LYS317 4.8 0.4 1.0
CA A:GLU333 4.8 0.6 1.0
C D:LYS317 4.8 0.4 1.0

Chlorine binding site 2 out of 2 in 4tnk

Go back to Chlorine Binding Sites List in 4tnk
Chlorine binding site 2 out of 2 in the Rt Xfel Structure of Photosystem II 250 Microsec After the Third Illumination at 5.2 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Rt Xfel Structure of Photosystem II 250 Microsec After the Third Illumination at 5.2 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
a:Cl410

b:0.9
occ:1.00
N a:GLU333 3.3 0.3 1.0
NZ d:LYS317 3.6 0.3 1.0
CA a:HIS332 3.7 0.0 1.0
CB a:HIS332 3.7 0.3 1.0
ND2 a:ASN181 3.8 0.5 1.0
C a:HIS332 4.0 0.9 1.0
OD1 a:ASN181 4.1 0.7 1.0
CG a:GLU333 4.2 0.1 1.0
CA a:GLU333 4.3 0.2 1.0
CB d:LYS317 4.4 0.1 1.0
CG a:ASN181 4.4 0.4 1.0
CG2 a:VAL185 4.4 0.2 1.0
CD1 d:LEU321 4.5 0.5 1.0
CG d:LYS317 4.5 1.0 1.0
CD2 d:LEU321 4.5 0.8 1.0
CD d:LYS317 4.6 0.2 1.0
CG d:LEU321 4.6 0.6 1.0
CE d:LYS317 4.7 0.3 1.0
O d:LYS317 4.8 0.5 1.0
CG a:HIS332 4.9 0.0 1.0
CB a:GLU333 4.9 0.7 1.0
N a:HIS332 5.0 0.3 1.0

Reference:

J.Kern, R.Tran, R.Alonso-Mori, S.Koroidov, N.Echols, J.Hattne, M.Ibrahim, S.Gul, H.Laksmono, R.G.Sierra, R.J.Gildea, G.Han, J.Hellmich, B.Lassalle-Kaiser, R.Chatterjee, A.S.Brewster, C.A.Stan, C.Glockner, A.Lampe, D.Difiore, D.Milathianaki, A.R.Fry, M.M.Seibert, J.E.Koglin, E.Gallo, J.Uhlig, D.Sokaras, T.C.Weng, P.H.Zwart, D.E.Skinner, M.J.Bogan, M.Messerschmidt, P.Glatzel, G.J.Williams, S.Boutet, P.D.Adams, A.Zouni, J.Messinger, N.K.Sauter, U.Bergmann, J.Yano, V.K.Yachandra. Taking Snapshots of Photosynthetic Water Oxidation Using Femtosecond X-Ray Diffraction and Spectroscopy. Nat Commun V. 5 4371 2014.
ISSN: ESSN 2041-1723
PubMed: 25006873
DOI: 10.1038/NCOMMS5371
Page generated: Fri Jul 11 21:45:45 2025

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