Chlorine in PDB 3rtl: Staphylococcus Aureus Heme-Bound Isdb-N2

The structure of Staphylococcus Aureus Heme-Bound Isdb-N2, PDB code: 3rtl was solved by C.F.M.Gaudin, J.C.Grigg, A.L.Arrieta, M.E.P.Murphy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.42 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.527, 82.608, 116.888, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 21.7

The structure of Staphylococcus Aureus Heme-Bound Isdb-N2 also contains other interesting chemical elements:

Magnesium	(Mg)	5 atoms
Iron	(Fe)	4 atoms

The binding sites of Chlorine atom in the Staphylococcus Aureus Heme-Bound Isdb-N2 (pdb code 3rtl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Staphylococcus Aureus Heme-Bound Isdb-N2, PDB code: 3rtl:

Chlorine binding site 1 out of 1 in the Staphylococcus Aureus Heme-Bound Isdb-N2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Staphylococcus Aureus Heme-Bound Isdb-N2 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1 b:17.1 occ:1.00 O D:HOH107 3.2 21.4 1.0 NZ D:LYS407 3.2 21.1 1.0 NH1 D:ARG414 3.5 15.5 1.0 CE D:LYS407 3.6 20.9 1.0 CB D:THR404 3.7 15.0 1.0 CG2 D:THR404 3.8 15.7 1.0 OG1 D:THR404 3.9 15.4 1.0 CD D:LYS407 4.1 22.0 1.0 CZ D:ARG414 4.7 14.5 1.0 O D:HOH49 5.0 18.2 1.0

C.F.Gaudin, J.C.Grigg, A.L.Arrieta, M.E.Murphy. Unique Heme-Iron Coordination By the Hemoglobin Receptor Isdb of Staphylococcus Aureus. Biochemistry V. 50 5443 2011.
ISSN: ISSN 0006-2960
PubMed: 21574663
DOI: 10.1021/BI200369P