Chlorine in PDB 7u55: Crystal Structure of Thermoplasmatales Archaeon Heliorhodopsin at pH 4.5

The structure of Crystal Structure of Thermoplasmatales Archaeon Heliorhodopsin at pH 4.5, PDB code: 7u55 was solved by J.E.Besaw, P.De Guzman, R.J.D.Miller, O.P.Ernst, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.94 / 1.97
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	89.848, 47.974, 56.688, 90, 90, 90
R / Rfree (%)	19.8 / 22.3

The binding sites of Chlorine atom in the Crystal Structure of Thermoplasmatales Archaeon Heliorhodopsin at pH 4.5 (pdb code 7u55). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Thermoplasmatales Archaeon Heliorhodopsin at pH 4.5, PDB code: 7u55:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Thermoplasmatales Archaeon Heliorhodopsin at pH 4.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Thermoplasmatales Archaeon Heliorhodopsin at pH 4.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:25.2 occ:1.00 OH A:TYR109 2.8 23.6 1.0 O A:HOH431 3.1 40.3 1.0 CE1 A:HIS82 3.4 29.5 1.0 NH2 A:ARG105 3.4 23.5 1.0 NE A:ARG105 3.5 38.2 1.0 NE2 A:HIS82 3.5 30.4 1.0 O A:HOH403 3.6 24.0 1.0 CZ A:TYR109 3.6 25.1 1.0 CA A:ILE231 3.7 22.4 1.0 CE1 A:TYR109 3.7 21.0 1.0 O A:TYR230 3.7 21.5 1.0 CB A:SER234 3.8 20.3 1.0 N A:ILE231 3.9 24.5 1.0 C A:TYR230 3.9 25.7 1.0 CZ A:ARG105 3.9 32.5 1.0 O A:HOH404 3.9 30.7 1.0 CG1 A:ILE231 4.1 25.3 1.0 O A:HOH420 4.2 25.4 1.0 OG A:SER234 4.3 27.7 1.0 CB A:TYR230 4.3 20.6 1.0 CB A:ILE231 4.5 21.0 1.0 OE1 A:GLU108 4.6 22.5 1.0 CD A:ARG105 4.6 29.5 1.0 ND1 A:HIS82 4.7 24.6 1.0 CA A:TYR230 4.7 23.8 1.0 C A:ILE231 4.8 20.5 1.0 CD2 A:HIS82 4.9 32.5 1.0 O A:ILE231 4.9 23.9 1.0 CE A:MET19 4.9 25.9 1.0 CE2 A:TYR109 4.9 23.2 1.0 SD A:MET19 4.9 36.4 1.0 CG A:ARG105 5.0 25.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Thermoplasmatales Archaeon Heliorhodopsin at pH 4.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Thermoplasmatales Archaeon Heliorhodopsin at pH 4.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:38.2 occ:1.00 N A:PHE191 3.2 21.9 1.0 CD2 A:PHE191 3.6 20.1 1.0 N A:ASP190 3.6 30.1 1.0 CB A:PHE191 3.7 24.5 1.0 CB A:ASP190 3.9 32.0 1.0 CA A:PHE191 4.0 29.2 1.0 CA A:ASP190 4.1 33.1 1.0 C A:ASP190 4.1 24.9 1.0 CG A:PHE191 4.1 22.7 1.0 C A:PRO189 4.3 32.1 1.0 CB A:PRO189 4.4 25.6 1.0 CA A:PRO189 4.6 30.5 1.0 CE2 A:PHE191 4.7 26.7 1.0 CG A:ASP190 4.7 46.5 1.0 OD1 A:ASP190 5.0 56.5 1.0

J.E.Besaw, J.Reichenwallner, P.De Guzman, A.Tucs, A.Kuo, T.Morizumi, K.Tsuda, A.Sljoka, R.J.D.Miller, O.P.Ernst. Low pH Structure of Heliorhodopsin Reveals Chloride Binding Site and Intramolecular Signaling Pathway. Sci Rep V. 12 13955 2022.
ISSN: ESSN 2045-2322
PubMed: 35977989
DOI: 10.1038/S41598-022-17716-9