Chlorine in PDB 2hls: The Crystal Structure of A Protein Disulfide Oxidoreductase From Aeropyrum Pernix K1

The structure of The Crystal Structure of A Protein Disulfide Oxidoreductase From Aeropyrum Pernix K1, PDB code: 2hls was solved by K.D'ambrosio, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.93
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	90.625, 101.424, 128.927, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 20.9

The binding sites of Chlorine atom in the The Crystal Structure of A Protein Disulfide Oxidoreductase From Aeropyrum Pernix K1 (pdb code 2hls). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of A Protein Disulfide Oxidoreductase From Aeropyrum Pernix K1, PDB code: 2hls:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Crystal Structure of A Protein Disulfide Oxidoreductase From Aeropyrum Pernix K1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of A Protein Disulfide Oxidoreductase From Aeropyrum Pernix K1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl800 b:49.1 occ:1.00 N A:LYS36 3.2 40.1 1.0 N A:GLU73 3.2 45.5 1.0 CB A:GLU73 3.5 47.4 0.0 CG A:LYS36 3.6 41.7 0.0 N A:ARG72 3.7 39.4 1.0 CA A:SER35 3.8 36.5 1.0 CB A:LYS36 3.8 41.5 0.0 CB A:ARG72 3.9 45.0 1.0 C A:SER35 3.9 38.2 1.0 CA A:GLU73 4.0 47.6 1.0 CB A:TYR71 4.0 34.5 1.0 CA A:LYS36 4.1 41.8 1.0 CA A:ARG72 4.1 42.9 1.0 C A:ARG72 4.2 43.6 1.0 CD A:LYS36 4.2 41.7 0.0 C A:TYR71 4.2 37.1 1.0 CB A:SER35 4.3 36.2 1.0 OE1 A:GLU73 4.4 47.5 0.0 CA A:TYR71 4.6 35.5 1.0 CD2 A:TYR71 4.6 32.4 1.0 CE A:LYS36 4.7 41.8 0.0 O A:LEU34 4.7 28.5 1.0 CG A:TYR71 4.8 34.0 1.0 CG A:GLU73 4.8 47.5 0.0 O A:TYR71 4.9 36.9 1.0 CG A:ARG72 4.9 48.6 1.0 N A:SER35 5.0 33.3 1.0

Chlorine binding site 2 out of 2 in the The Crystal Structure of A Protein Disulfide Oxidoreductase From Aeropyrum Pernix K1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of A Protein Disulfide Oxidoreductase From Aeropyrum Pernix K1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:49.0 occ:1.00 N B:LYS36 3.4 43.9 1.0 N B:GLU73 3.5 54.6 1.0 N B:ARG72 3.7 45.2 1.0 CA B:SER35 3.7 39.9 1.0 CB B:ARG72 3.9 51.8 1.0 CB B:TYR71 4.0 37.1 1.0 CG B:LYS36 4.1 49.6 1.0 C B:SER35 4.1 41.8 1.0 CA B:ARG72 4.1 50.5 1.0 CB B:LYS36 4.2 47.8 1.0 C B:TYR71 4.3 41.4 1.0 CB B:SER35 4.3 40.0 1.0 C B:ARG72 4.3 52.4 1.0 CB B:GLU73 4.3 55.6 0.0 CA B:LYS36 4.4 45.6 1.0 CA B:GLU73 4.4 55.6 1.0 CA B:TYR71 4.6 38.4 1.0 CD2 B:TYR71 4.6 35.4 1.0 O B:LEU34 4.6 32.8 1.0 CG B:TYR71 4.8 36.2 1.0 N B:SER35 4.9 36.2 1.0 CG B:ARG72 5.0 54.6 1.0

K.D'ambrosio, E.Pedone, E.Langella, G.De Simone, M.Rossi, C.Pedone, S.Bartolucci. A Novel Member of the Protein Disulfide Oxidoreductase Family From Aeropyrum Pernix K1: Structure, Function and Electrostatics. J.Mol.Biol. V. 362 743 2006.
ISSN: ISSN 0022-2836
PubMed: 16934838
DOI: 10.1016/J.JMB.2006.07.038