Chlorine in PDB 7ppt: Structure of Dife-Sulerythrin at 0.26 Mgy Total Absorbed Dose

The structure of Structure of Dife-Sulerythrin at 0.26 Mgy Total Absorbed Dose, PDB code: 7ppt was solved by F.Lennartz, M.S.Weiss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.55 / 1.42
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	72.032, 72.032, 98.044, 90, 90, 120
R / Rfree (%)	18.5 / 20.8

The structure of Structure of Dife-Sulerythrin at 0.26 Mgy Total Absorbed Dose also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the Structure of Dife-Sulerythrin at 0.26 Mgy Total Absorbed Dose (pdb code 7ppt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Dife-Sulerythrin at 0.26 Mgy Total Absorbed Dose, PDB code: 7ppt:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Dife-Sulerythrin at 0.26 Mgy Total Absorbed Dose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Dife-Sulerythrin at 0.26 Mgy Total Absorbed Dose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:27.1 occ:0.92 H A:GLU41 2.5 28.7 1.0 HB2 A:GLU41 2.6 31.3 1.0 HA A:TYR39 2.7 21.4 1.0 H A:ILE42 2.8 21.9 1.0 HB3 A:TYR39 3.1 21.0 1.0 HD1 A:TYR39 3.1 22.4 1.0 N A:GLU41 3.2 23.9 1.0 CA A:TYR39 3.3 17.9 1.0 C A:TYR39 3.3 17.7 1.0 HD2 A:PRO40 3.3 21.0 1.0 HG13 A:ILE42 3.4 22.0 1.0 CB A:GLU41 3.4 26.1 1.0 HG3 A:GLU41 3.5 33.4 1.0 N A:PRO40 3.5 16.2 1.0 N A:ILE42 3.6 18.2 1.0 CB A:TYR39 3.6 17.5 1.0 CA A:GLU41 3.8 24.2 1.0 O A:TYR39 3.8 17.2 1.0 CD A:PRO40 3.9 17.5 1.0 CD1 A:TYR39 3.9 18.7 1.0 CG A:GLU41 3.9 27.8 1.0 HD12 A:ILE42 4.0 22.8 1.0 HG2 A:PRO40 4.1 21.4 1.0 HB A:ILE42 4.1 21.4 1.0 C A:GLU41 4.2 23.1 1.0 CG1 A:ILE42 4.2 18.3 1.0 C A:PRO40 4.2 16.3 1.0 HB3 A:GLU41 4.2 31.3 1.0 CG A:TYR39 4.3 18.0 1.0 CA A:PRO40 4.4 16.1 1.0 HB2 A:TYR39 4.5 21.0 1.0 OE1 A:GLU41 4.5 30.4 1.0 CD1 A:ILE42 4.5 18.9 1.0 CG A:PRO40 4.5 17.8 1.0 CB A:ILE42 4.5 17.8 1.0 HD11 A:ILE42 4.6 22.8 1.0 CD A:GLU41 4.6 30.1 1.0 HA A:GLU41 4.7 29.0 1.0 N A:TYR39 4.7 18.0 1.0 CA A:ILE42 4.7 17.7 1.0 HD3 A:PRO40 4.7 21.0 1.0 O A:GLY38 4.7 18.2 1.0 HG2 A:GLU41 4.8 33.4 1.0 HG12 A:ILE42 4.9 22.0 1.0

Chlorine binding site 2 out of 2 in the Structure of Dife-Sulerythrin at 0.26 Mgy Total Absorbed Dose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Dife-Sulerythrin at 0.26 Mgy Total Absorbed Dose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:18.6 occ:0.96 H B:GLU41 2.5 20.8 1.0 H B:ILE42 2.7 16.0 1.0 HB2 B:GLU41 2.8 21.5 1.0 HA B:TYR39 2.8 17.5 1.0 HB3 B:TYR39 3.2 17.2 1.0 N B:GLU41 3.2 17.3 1.0 HD2 B:PRO40 3.3 16.4 1.0 HD1 B:TYR39 3.3 18.3 1.0 C B:TYR39 3.3 14.3 1.0 HG13 B:ILE42 3.3 15.9 1.0 CA B:TYR39 3.4 14.6 1.0 N B:ILE42 3.5 13.3 1.0 N B:PRO40 3.5 13.1 1.0 CB B:GLU41 3.6 17.9 1.0 CB B:TYR39 3.7 14.3 1.0 HG3 B:GLU41 3.7 23.7 1.0 CA B:GLU41 3.7 16.9 1.0 O B:TYR39 3.8 13.9 1.0 CD B:PRO40 3.8 13.7 1.0 HD12 B:ILE42 3.9 16.5 1.0 HN2 A:TRS205 4.0 23.6 1.0 HB B:ILE42 4.0 15.7 1.0 HG2 B:PRO40 4.1 17.0 1.0 CD1 B:TYR39 4.1 15.2 1.0 C B:GLU41 4.1 16.1 1.0 CG1 B:ILE42 4.1 13.2 1.0 C B:PRO40 4.2 12.7 1.0 CG B:GLU41 4.2 19.8 1.0 HB3 B:GLU41 4.3 21.5 1.0 CG B:TYR39 4.4 14.7 1.0 CB B:ILE42 4.4 13.0 1.0 CA B:PRO40 4.4 13.1 1.0 CD1 B:ILE42 4.4 13.8 1.0 CG B:PRO40 4.5 14.2 1.0 HB2 B:TYR39 4.5 17.2 1.0 CA B:ILE42 4.6 13.0 1.0 HD11 B:ILE42 4.6 16.5 1.0 HD3 B:PRO40 4.7 16.4 1.0 HA B:GLU41 4.7 20.2 1.0 N B:TYR39 4.7 15.1 1.0 O B:GLY38 4.8 15.9 1.0 H22 A:TRS205 4.9 23.6 1.0 HN3 A:TRS205 4.9 23.6 1.0 HG12 B:ILE42 4.9 15.9 1.0 OE2 B:GLU41 4.9 21.6 1.0 N A:TRS205 4.9 19.6 1.0 HG2 B:GLU41 5.0 23.7 1.0 H B:ALA43 5.0 14.1 1.0 CD B:GLU41 5.0 20.9 1.0

F.Lennartz, J.H.Jeoung, S.Ruenger, H.Dobbek, M.S.Weiss. Determining the Oxidation State of Elements By X-Ray Crystallography. Acta Crystallogr D Struct V. 78 238 2022BIOL.
ISSN: ISSN 2059-7983
PubMed: 35102889
DOI: 10.1107/S2059798321013048