Chlorine in PDB 6pry: X-Ray Crystal Structure of the Blue-Light Absorbing State of Pixj From Thermosynechococcus Elongatus By Serial Femtosecond Crystallographic Analysis

The structure of X-Ray Crystal Structure of the Blue-Light Absorbing State of Pixj From Thermosynechococcus Elongatus By Serial Femtosecond Crystallographic Analysis, PDB code: 6pry was solved by E.S.Burgie, J.A.Clinger, M.D.Miller, G.N.Phillips Jr., R.D.Vierstra, A.M.Orville, J.F.Kern, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.09 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.788, 61.417, 116.484, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 18.5

The structure of X-Ray Crystal Structure of the Blue-Light Absorbing State of Pixj From Thermosynechococcus Elongatus By Serial Femtosecond Crystallographic Analysis also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine atom in the X-Ray Crystal Structure of the Blue-Light Absorbing State of Pixj From Thermosynechococcus Elongatus By Serial Femtosecond Crystallographic Analysis (pdb code 6pry). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the X-Ray Crystal Structure of the Blue-Light Absorbing State of Pixj From Thermosynechococcus Elongatus By Serial Femtosecond Crystallographic Analysis, PDB code: 6pry:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the X-Ray Crystal Structure of the Blue-Light Absorbing State of Pixj From Thermosynechococcus Elongatus By Serial Femtosecond Crystallographic Analysis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of the Blue-Light Absorbing State of Pixj From Thermosynechococcus Elongatus By Serial Femtosecond Crystallographic Analysis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:65.2 occ:1.00 O A:GLY481 3.1 26.2 0.4 HA2 A:GLY481 3.4 67.5 0.4 O A:GLY481 3.6 42.3 0.6 HA2 A:GLY481 3.6 32.9 0.6 C A:GLY481 4.0 29.0 0.4 CA A:GLY481 4.0 56.3 0.4 HA3 A:GLY481 4.1 67.5 0.4 C A:GLY481 4.3 35.5 0.6 CA A:GLY481 4.4 27.4 0.6 HA3 A:GLY481 4.8 32.9 0.6 O A:HOH717 4.8 28.9 0.6

Chlorine binding site 2 out of 3 in the X-Ray Crystal Structure of the Blue-Light Absorbing State of Pixj From Thermosynechococcus Elongatus By Serial Femtosecond Crystallographic Analysis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of the Blue-Light Absorbing State of Pixj From Thermosynechococcus Elongatus By Serial Femtosecond Crystallographic Analysis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:64.7 occ:1.00 H A:VAL478 2.2 25.1 1.0 HA A:SER477 2.7 24.8 1.0 N A:VAL478 3.1 20.9 1.0 O A:HOH806 3.4 51.4 1.0 O A:VAL478 3.4 25.4 1.0 HG12 A:VAL478 3.5 26.9 1.0 CA A:SER477 3.6 20.6 1.0 C A:SER477 3.8 16.7 1.0 O A:HOH780 3.9 62.1 1.0 HG13 A:VAL478 3.9 26.9 1.0 O A:HOH769 4.0 54.8 0.5 OG A:SER477 4.0 22.6 1.0 O A:GLU476 4.0 20.4 1.0 O A:HOH729 4.0 41.6 0.5 CA A:VAL478 4.1 21.6 1.0 CG1 A:VAL478 4.1 22.5 1.0 C A:VAL478 4.1 23.5 1.0 HH11 A:ARG452 4.3 66.7 1.0 CB A:SER477 4.4 24.2 1.0 O A:HOH777 4.5 36.1 0.3 N A:SER477 4.6 16.4 1.0 HB2 A:SER477 4.7 29.1 1.0 C A:GLU476 4.7 16.1 1.0 HG2 A:GLU476 4.7 26.7 1.0 CB A:VAL478 4.7 20.9 1.0 O A:HOH783 4.7 66.6 1.0 O A:HOH731 4.7 26.6 1.0 HG A:SER477 4.8 27.1 1.0 HA A:VAL478 4.9 25.9 1.0 HE A:ARG452 4.9 38.4 1.0 HG11 A:VAL478 4.9 26.9 1.0 NH1 A:ARG452 4.9 55.6 1.0 HB A:VAL478 5.0 25.1 1.0

Chlorine binding site 3 out of 3 in the X-Ray Crystal Structure of the Blue-Light Absorbing State of Pixj From Thermosynechococcus Elongatus By Serial Femtosecond Crystallographic Analysis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Crystal Structure of the Blue-Light Absorbing State of Pixj From Thermosynechococcus Elongatus By Serial Femtosecond Crystallographic Analysis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl605 b:64.5 occ:1.00 H B:LEU546 2.1 44.9 0.4 H B:LEU546 2.2 23.7 0.6 HH B:TYR469 2.3 68.9 1.0 HD2 B:ARG504 2.5 70.2 0.5 HD2 B:ARG504 2.7 66.9 0.5 OE1 B:GLN545 2.9 63.1 0.6 OH B:TYR469 2.9 57.4 1.0 HH21 B:ARG504 2.9 65.6 0.5 HA B:GLN545 3.0 33.6 0.6 HB3 B:LEU546 3.0 38.2 0.4 N B:LEU546 3.0 37.4 0.4 N B:LEU546 3.0 19.8 0.6 HA B:GLN545 3.2 46.8 0.4 HE21 B:GLN545 3.3 91.5 0.4 CD B:GLN545 3.3 77.3 0.6 HB3 B:LEU546 3.4 30.4 0.6 HB3 B:GLN545 3.4 52.5 0.4 NE2 B:GLN545 3.4 76.2 0.4 HE22 B:GLN545 3.4 91.5 0.4 CD B:ARG504 3.5 58.5 0.5 HB3 B:GLN545 3.5 51.1 0.6 NH2 B:ARG504 3.6 54.7 0.5 CD B:ARG504 3.6 55.7 0.5 CA B:GLN545 3.6 28.0 0.6 CB B:LEU546 3.7 31.8 0.4 HE22 B:GLN545 3.7 91.7 0.6 NE2 B:GLN545 3.8 76.4 0.6 C B:GLN545 3.8 30.7 0.6 HB2 B:LEU546 3.8 38.2 0.4 HB2 B:LEU546 3.8 30.4 0.6 CA B:GLN545 3.8 39.0 0.4 CA B:LEU546 3.9 18.5 0.4 CB B:LEU546 3.9 25.4 0.6 C B:GLN545 3.9 22.2 0.4 CB B:GLN545 3.9 42.6 0.6 HG2 B:ARG504 3.9 58.2 0.5 CA B:LEU546 3.9 34.0 0.6 HD3 B:ARG504 3.9 70.2 0.5 HE1 B:TYR469 4.0 48.2 1.0 HG23 B:VAL500 4.0 44.8 1.0 HG21 B:VAL500 4.0 44.8 1.0 HH22 B:ARG504 4.0 65.6 0.5 HG3 B:ARG504 4.0 65.4 0.5 CB B:GLN545 4.0 43.8 0.4 HG2 B:ARG504 4.1 65.4 0.5 HE B:ARG504 4.1 67.1 0.5 CZ B:TYR469 4.1 45.2 1.0 CG B:ARG504 4.1 54.5 0.5 CD B:GLN545 4.2 62.7 0.4 HG3 B:ARG504 4.2 58.2 0.5 CG B:ARG504 4.2 48.5 0.5 HD3 B:ARG504 4.2 66.9 0.5 CG B:GLN545 4.2 53.3 0.6 NE B:ARG504 4.2 51.3 0.5 HG22 B:VAL500 4.3 44.8 1.0 O B:LEU546 4.3 30.4 0.4 CZ B:ARG504 4.3 42.5 0.5 CG2 B:VAL500 4.3 37.3 1.0 NE B:ARG504 4.3 55.9 0.5 O B:LEU546 4.3 25.0 0.6 HE21 B:GLN545 4.4 91.7 0.6 CE1 B:TYR469 4.4 40.2 1.0 C B:LEU546 4.5 26.9 0.4 C B:LEU546 4.5 26.7 0.6 HG2 B:GLN545 4.6 63.9 0.6 HA B:LEU546 4.7 22.2 0.4 CG B:GLN545 4.7 53.7 0.4 HA B:LEU546 4.8 40.8 0.6 OE1 B:GLN545 4.8 77.4 0.4 HB2 B:GLN545 4.8 52.5 0.4 HB2 B:GLN545 4.9 51.1 0.6 HD23 B:LEU546 4.9 42.7 0.4 HE B:ARG504 5.0 61.5 0.5 N B:GLN545 5.0 38.1 0.6 O B:GLN545 5.0 26.6 0.6 HG3 B:GLN545 5.0 63.9 0.6 O B:ASP544 5.0 36.0 0.6

E.S.Burgie, J.A.Clinger, M.D.Miller, A.S.Brewster, P.Aller, A.Butryn, F.D.Fuller, S.Gul, I.D.Young, C.C.Pham, I.S.Kim, A.Bhowmick, L.J.O'riordan, K.D.Sutherlin, J.V.Heinemann, A.Batyuk, R.Alonso-Mori, M.S.Hunter, J.E.Koglin, J.Yano, V.K.Yachandra, N.K.Sauter, A.E.Cohen, J.Kern, A.M.Orville, G.N.Phillips Jr., R.D.Vierstra. Photoreversible Interconversion of A Phytochrome Photosensory Module in the Crystalline State. Proc.Natl.Acad.Sci.Usa 2019.
ISSN: ESSN 1091-6490
PubMed: 31852825
DOI: 10.1073/PNAS.1912041116