Chlorine in PDB 7ppv: Structure of Dife-Sulerythrin at 2.70 Mgy Total Absorbed Dose

The structure of Structure of Dife-Sulerythrin at 2.70 Mgy Total Absorbed Dose, PDB code: 7ppv 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 / 1.36
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	72.15, 72.15, 97.98, 90, 90, 120
R / Rfree (%)	18.1 / 19.9

The structure of Structure of Dife-Sulerythrin at 2.70 Mgy Total Absorbed Dose also contains other interesting chemical elements:

Iron

(Fe)

6 atoms

The binding sites of Chlorine atom in the Structure of Dife-Sulerythrin at 2.70 Mgy Total Absorbed Dose (pdb code 7ppv). 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 2.70 Mgy Total Absorbed Dose, PDB code: 7ppv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Dife-Sulerythrin at 2.70 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 2.70 Mgy Total Absorbed Dose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:35.8 occ:1.00 H A:GLU41 2.4 29.3 1.0 HB2 A:GLU41 2.7 32.3 1.0 HA A:TYR39 2.7 22.8 1.0 H A:ILE42 2.9 23.5 1.0 N A:GLU41 3.1 24.4 1.0 HB3 A:TYR39 3.2 22.2 1.0 HD1 A:TYR39 3.2 25.3 1.0 HD2 A:PRO40 3.3 25.0 1.0 C A:TYR39 3.3 18.2 1.0 CA A:TYR39 3.3 19.0 1.0 HG3 A:GLU41 3.4 35.2 1.0 CB A:GLU41 3.5 27.0 1.0 HG13 A:ILE42 3.5 24.6 1.0 N A:PRO40 3.5 18.9 1.0 N A:ILE42 3.6 19.6 1.0 CB A:TYR39 3.7 18.5 1.0 CA A:GLU41 3.8 24.5 1.0 CD A:PRO40 3.8 20.9 1.0 O A:TYR39 3.8 17.1 1.0 CG A:GLU41 3.9 29.4 1.0 HG2 A:PRO40 4.0 25.3 1.0 CD1 A:TYR39 4.0 21.2 1.0 C A:PRO40 4.2 18.0 1.0 C A:GLU41 4.2 22.9 1.0 HB A:ILE42 4.2 23.1 1.0 HD12 A:ILE42 4.2 26.1 1.0 HB3 A:GLU41 4.3 32.3 1.0 CG1 A:ILE42 4.3 20.5 1.0 CG A:TYR39 4.4 19.9 1.0 CA A:PRO40 4.4 18.2 1.0 CG A:PRO40 4.5 21.1 1.0 OE1 A:GLU41 4.5 31.5 1.0 HB2 A:TYR39 4.5 22.2 1.0 CD A:GLU41 4.6 31.5 1.0 CB A:ILE42 4.6 19.3 1.0 HD3 A:PRO40 4.6 25.0 1.0 CD1 A:ILE42 4.6 21.8 1.0 HA A:GLU41 4.6 29.3 1.0 N A:TYR39 4.7 19.4 1.0 HD11 A:ILE42 4.7 26.1 1.0 O A:GLY38 4.7 20.4 1.0 HG2 A:GLU41 4.7 35.2 1.0 CA A:ILE42 4.7 18.8 1.0

Chlorine binding site 2 out of 2 in the Structure of Dife-Sulerythrin at 2.70 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 2.70 Mgy Total Absorbed Dose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:35.8 occ:1.00 H B:GLU41 2.5 22.3 1.0 H B:ILE42 2.7 19.1 1.0 HB2 B:GLU41 2.7 24.9 1.0 HA B:TYR39 2.8 18.2 1.0 HB3 B:TYR39 3.1 17.9 1.0 N B:GLU41 3.2 18.6 1.0 HD2 B:PRO40 3.3 18.9 1.0 HD1 B:TYR39 3.3 21.3 1.0 C B:TYR39 3.3 14.4 1.0 HG13 B:ILE42 3.4 20.4 1.0 CA B:TYR39 3.4 15.2 1.0 O A:HOH444 3.4 34.6 1.0 N B:ILE42 3.5 16.0 1.0 N B:PRO40 3.5 14.4 1.0 CB B:GLU41 3.5 20.8 1.0 HG3 B:GLU41 3.7 28.2 1.0 CB B:TYR39 3.7 15.0 1.0 CA B:GLU41 3.8 18.4 1.0 O B:TYR39 3.8 13.5 1.0 CD B:PRO40 3.8 15.8 1.0 HD12 B:ILE42 3.9 22.0 1.0 HB B:ILE42 4.0 18.7 1.0 HG2 B:PRO40 4.0 20.0 1.0 CD1 B:TYR39 4.1 17.8 1.0 C B:GLU41 4.1 16.9 1.0 CG B:GLU41 4.1 23.6 1.0 CG1 B:ILE42 4.1 17.0 1.0 C B:PRO40 4.2 13.7 1.0 HB3 B:GLU41 4.3 24.9 1.0 CG B:TYR39 4.4 16.3 1.0 CA B:PRO40 4.4 14.1 1.0 CD1 B:ILE42 4.4 18.4 1.0 CB B:ILE42 4.5 15.6 1.0 CG B:PRO40 4.5 16.8 1.0 HB2 B:TYR39 4.5 17.9 1.0 HD11 B:ILE42 4.6 22.0 1.0 CA B:ILE42 4.6 15.1 1.0 HD3 B:PRO40 4.7 18.9 1.0 HA B:GLU41 4.7 22.1 1.0 N B:TYR39 4.7 15.8 1.0 O B:GLY38 4.8 17.8 1.0 HG2 B:GLU41 4.9 28.2 1.0 OE2 B:GLU41 4.9 27.8 1.0 CD B:GLU41 4.9 26.3 1.0 O A:HOH466 4.9 45.7 1.0 HG12 B:ILE42 4.9 20.4 1.0 H B:ALA43 5.0 16.6 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