Chlorine in PDB 2o6p: Crystal Structure of the Heme-Isdc Complex

The structure of Crystal Structure of the Heme-Isdc Complex, PDB code: 2o6p was solved by K.H.Sharp, S.Schneider, A.Cockayne, M.Paoli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.99 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.489, 70.441, 88.685, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 22.2

The structure of Crystal Structure of the Heme-Isdc Complex also contains other interesting chemical elements:

Iron	(Fe)	2 atoms
Zinc	(Zn)	6 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Heme-Isdc Complex (pdb code 2o6p). 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 the Heme-Isdc Complex, PDB code: 2o6p:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Heme-Isdc Complex


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 the Heme-Isdc Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1007 b:22.6 occ:1.00 OG A:SER82 3.0 14.5 0.5 N A:GLY85 3.1 21.3 1.0 CB A:SER82 3.6 17.5 0.5 N A:GLU84 3.6 18.6 1.0 CB A:SER82 3.7 16.2 0.5 CD A:LYS116 3.7 19.9 0.5 C A:SER82 3.7 16.8 1.0 CA A:GLY85 3.7 22.4 1.0 O A:SER82 3.8 16.4 1.0 CA A:GLY115 3.8 15.1 1.0 N A:ILE83 3.8 17.2 1.0 CG A:LYS116 3.9 18.2 0.5 C A:ILE83 3.9 17.7 1.0 N A:LYS116 3.9 15.5 1.0 CA A:ILE83 4.0 17.2 1.0 CE A:LYS116 4.0 22.4 0.5 C A:GLY115 4.0 15.5 1.0 CG A:LYS116 4.0 18.0 0.5 C A:GLU84 4.2 20.7 1.0 CA A:SER82 4.3 17.0 0.5 O A:ASP114 4.3 16.0 1.0 CA A:SER82 4.3 16.2 0.5 CA A:GLU84 4.4 20.1 1.0 CB A:LYS116 4.4 16.7 0.5 CD A:LYS116 4.4 19.8 0.5 CE A:LYS116 4.4 22.4 0.5 CB A:LYS116 4.4 16.7 0.5 C A:GLY85 4.5 23.2 1.0 O A:ILE83 4.6 18.0 1.0 N A:GLY115 4.7 14.8 1.0 N A:HIS86 4.7 23.0 1.0 OG A:SER82 4.7 20.0 0.5 O A:GLY115 4.8 15.2 1.0 CA A:LYS116 4.8 15.9 0.5 CA A:LYS116 4.8 15.9 0.5 C A:ASP114 4.8 15.3 1.0 O A:HOH1014 4.9 19.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Heme-Isdc Complex


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 the Heme-Isdc Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1008 b:20.5 occ:1.00 O B:HOH1100 3.0 29.3 1.0 OG B:SER82 3.0 15.0 0.5 N B:GLY85 3.1 21.9 1.0 O B:HOH1089 3.1 26.4 1.0 CB B:SER82 3.5 18.2 0.5 CA B:GLY85 3.6 23.0 1.0 CB B:SER82 3.6 17.0 0.5 N B:GLU84 3.6 19.7 1.0 C B:SER82 3.7 17.3 1.0 O B:SER82 3.8 16.9 1.0 C B:ILE83 3.8 19.1 1.0 CA B:GLY115 3.8 16.6 1.0 N B:ILE83 3.9 16.9 1.0 CA B:ILE83 4.0 18.1 1.0 CG B:LYS116 4.0 17.5 1.0 N B:LYS116 4.1 16.3 1.0 C B:GLY115 4.1 16.6 1.0 C B:GLU84 4.1 21.4 1.0 CE B:LYS116 4.2 19.1 1.0 CA B:SER82 4.3 17.7 0.5 CD B:LYS116 4.3 18.6 1.0 CA B:SER82 4.3 16.9 0.5 C B:GLY85 4.3 23.7 1.0 CA B:GLU84 4.3 20.9 1.0 O B:ASP114 4.3 18.1 1.0 N B:HIS86 4.4 23.6 1.0 O B:ILE83 4.5 20.0 1.0 CB B:LYS116 4.6 16.9 1.0 O B:HOH1011 4.7 22.8 1.0 N B:GLY115 4.7 17.3 1.0 OG B:SER82 4.7 20.5 0.5 C B:ASP114 4.8 18.0 1.0 O B:GLY115 4.9 16.4 1.0 O B:HOH1038 4.9 29.5 1.0 CA B:LYS116 5.0 16.5 1.0

K.H.Sharp, S.Schneider, A.Cockayne, M.Paoli. Crystal Structure of the Heme-Isdc Complex, the Central Conduit of the Isd Iron/Heme Uptake System in Staphylococcus Aureus. J. Biol. Chem. V. 282 10625 2007.
ISSN: ISSN 0021-9258
PubMed: 17287214
DOI: 10.1074/JBC.M700234200