Chlorine in PDB 7ppu: Structure of Dife-Sulerythrin at 0.57 Mgy Total Absorbed Dose

The structure of Structure of Dife-Sulerythrin at 0.57 Mgy Total Absorbed Dose, PDB code: 7ppu 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)	38.53 / 1.34
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	72.02, 72.02, 97.997, 90, 90, 120
R / Rfree (%)	18.5 / 21.5

The structure of Structure of Dife-Sulerythrin at 0.57 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 0.57 Mgy Total Absorbed Dose (pdb code 7ppu). 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 0.57 Mgy Total Absorbed Dose, PDB code: 7ppu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Dife-Sulerythrin at 0.57 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 0.57 Mgy Total Absorbed Dose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:26.7 occ:1.00 H A:GLU41 2.5 26.6 1.0 HB2 A:GLU41 2.6 29.9 1.0 HA A:TYR39 2.7 20.0 1.0 H A:ILE42 2.8 21.0 1.0 HB3 A:TYR39 3.1 19.5 1.0 HD1 A:TYR39 3.1 22.2 1.0 N A:GLU41 3.2 22.2 1.0 CA A:TYR39 3.3 16.7 1.0 HD2 A:PRO40 3.3 21.2 1.0 C A:TYR39 3.3 16.1 1.0 HG13 A:ILE42 3.3 21.8 1.0 CB A:GLU41 3.4 25.0 1.0 HG3 A:GLU41 3.5 32.5 1.0 N A:PRO40 3.6 16.5 1.0 N A:ILE42 3.6 17.5 1.0 CB A:TYR39 3.6 16.3 1.0 CA A:GLU41 3.8 22.5 1.0 O A:TYR39 3.8 15.3 1.0 CD A:PRO40 3.9 17.7 1.0 CD1 A:TYR39 3.9 18.6 1.0 CG A:GLU41 3.9 27.1 1.0 HD12 A:ILE42 4.0 22.9 1.0 HB A:ILE42 4.1 20.4 1.0 HG2 A:PRO40 4.1 21.6 1.0 CG1 A:ILE42 4.1 18.2 1.0 C A:GLU41 4.1 21.1 1.0 C A:PRO40 4.2 15.7 1.0 HB3 A:GLU41 4.2 29.9 1.0 CG A:TYR39 4.3 17.3 1.0 OE1 A:GLU41 4.4 30.5 1.0 CA A:PRO40 4.4 15.7 1.0 HB2 A:TYR39 4.5 19.5 1.0 CD1 A:ILE42 4.5 19.1 1.0 CB A:ILE42 4.5 17.0 1.0 CG A:PRO40 4.5 18.1 1.0 CD A:GLU41 4.6 30.0 1.0 HD11 A:ILE42 4.6 22.9 1.0 N A:TYR39 4.6 16.7 1.0 CA A:ILE42 4.6 16.7 1.0 HA A:GLU41 4.7 26.9 1.0 HD3 A:PRO40 4.7 21.2 1.0 O A:GLY38 4.7 17.4 1.0 HG2 A:GLU41 4.8 32.5 1.0 HG12 A:ILE42 4.9 21.8 1.0

Chlorine binding site 2 out of 2 in the Structure of Dife-Sulerythrin at 0.57 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 0.57 Mgy Total Absorbed Dose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:28.6 occ:1.00 H B:GLU41 2.5 18.4 1.0 H B:ILE42 2.7 14.7 1.0 HA B:TYR39 2.8 15.7 1.0 HB2 B:GLU41 2.8 19.3 1.0 HB3 B:TYR39 3.2 15.5 1.0 N B:GLU41 3.2 15.4 1.0 HD2 B:PRO40 3.2 15.2 1.0 HD1 B:TYR39 3.3 17.2 1.0 C B:TYR39 3.3 12.6 1.0 HG13 B:ILE42 3.3 15.3 1.0 CA B:TYR39 3.3 13.1 1.0 N B:ILE42 3.5 12.3 1.0 N B:PRO40 3.5 11.9 1.0 CB B:GLU41 3.6 16.1 1.0 HG3 B:GLU41 3.7 21.6 1.0 CB B:TYR39 3.7 12.9 1.0 CA B:GLU41 3.8 14.9 1.0 O B:TYR39 3.8 12.1 1.0 CD B:PRO40 3.8 12.7 1.0 HD12 B:ILE42 4.0 16.3 1.0 HB B:ILE42 4.0 14.7 1.0 HG2 B:PRO40 4.0 15.6 1.0 CD1 B:TYR39 4.1 14.4 1.0 C B:GLU41 4.1 14.1 1.0 CG1 B:ILE42 4.1 12.7 1.0 CG B:GLU41 4.2 18.0 1.0 C B:PRO40 4.2 11.2 1.0 HB3 B:GLU41 4.3 19.3 1.0 CG B:TYR39 4.4 13.7 1.0 CA B:PRO40 4.4 11.6 1.0 CB B:ILE42 4.4 12.3 1.0 CG B:PRO40 4.5 13.0 1.0 CD1 B:ILE42 4.5 13.6 1.0 HB2 B:TYR39 4.5 15.5 1.0 CA B:ILE42 4.6 12.0 1.0 HD3 B:PRO40 4.6 15.2 1.0 O A:HOH452 4.6 38.1 1.0 HD11 B:ILE42 4.7 16.3 1.0 HA B:GLU41 4.7 17.9 1.0 N B:TYR39 4.7 13.7 1.0 O B:GLY38 4.7 14.8 1.0 OE2 B:GLU41 4.9 20.3 1.0 CD B:GLU41 4.9 19.4 1.0 HG12 B:ILE42 4.9 15.3 1.0 H B:ALA43 4.9 12.8 1.0 HG2 B:GLU41 5.0 21.6 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