Chlorine in PDB 4qba: Crystal Structure of the Effector-Binding Domain of S. Aureus Ccpe

The structure of Crystal Structure of the Effector-Binding Domain of S. Aureus Ccpe, PDB code: 4qba was solved by X.Liu, L.Lan, C.G.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.21
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.605, 77.182, 93.968, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 24.3

The binding sites of Chlorine atom in the Crystal Structure of the Effector-Binding Domain of S. Aureus Ccpe (pdb code 4qba). 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 Effector-Binding Domain of S. Aureus Ccpe, PDB code: 4qba:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Effector-Binding Domain of S. Aureus Ccpe


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 Effector-Binding Domain of S. Aureus Ccpe within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:38.8 occ:1.00 OG A:SER98 3.0 36.2 1.0 N A:LEU100 3.2 33.2 1.0 O A:HOH427 3.2 46.8 1.0 O A:HOH404 3.2 41.8 1.0 N A:ILE101 3.3 38.8 1.0 CB A:LEU100 3.4 41.6 1.0 NE A:ARG145 3.6 52.8 1.0 CA A:LEU100 3.6 37.2 1.0 CB A:SER98 3.7 33.6 1.0 CG2 A:ILE101 3.8 41.5 1.0 CB A:ARG145 3.8 37.9 1.0 C A:SER98 3.9 34.1 1.0 N A:SER99 3.9 31.7 1.0 C A:LEU100 4.0 39.3 1.0 O A:SER98 4.0 36.5 1.0 CB A:ILE101 4.1 42.2 1.0 CD A:ARG145 4.2 45.6 1.0 C A:SER99 4.2 35.1 1.0 CA A:ILE101 4.3 39.2 1.0 CA A:SER98 4.4 33.0 1.0 CG A:LEU100 4.4 44.6 1.0 CD2 A:LEU100 4.4 46.0 1.0 NH2 A:ARG145 4.5 48.0 1.0 CZ A:ARG145 4.5 47.6 1.0 CA A:SER99 4.6 37.0 1.0 CG A:ARG145 4.7 42.5 1.0 N A:ARG145 4.7 36.8 1.0 CD1 A:LEU100 4.9 48.0 1.0 CA A:ARG145 4.9 39.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Effector-Binding Domain of S. Aureus Ccpe


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 Effector-Binding Domain of S. Aureus Ccpe within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:49.8 occ:1.00 OG B:SER98 3.0 41.9 1.0 O B:HOH432 3.2 42.5 1.0 N B:LEU100 3.4 36.1 1.0 NE B:ARG145 3.4 49.7 1.0 O B:HOH407 3.4 45.3 1.0 CB B:LEU100 3.4 40.1 1.0 N B:ILE101 3.5 38.9 1.0 CB B:ARG145 3.6 44.8 1.0 CB B:SER98 3.7 39.8 1.0 CA B:LEU100 3.8 40.2 1.0 CD B:ARG145 3.9 49.2 1.0 CG2 B:ILE101 4.0 44.4 1.0 C B:SER98 4.0 39.5 1.0 N B:SER99 4.0 38.7 1.0 C B:LEU100 4.2 39.9 1.0 O B:SER98 4.2 43.1 1.0 CZ B:ARG145 4.4 48.9 1.0 CB B:ILE101 4.4 43.9 1.0 CD2 B:LEU100 4.4 44.4 1.0 C B:SER99 4.4 35.8 1.0 CG B:LEU100 4.4 44.7 1.0 CG B:ARG145 4.4 46.2 1.0 NH2 B:ARG145 4.4 50.6 1.0 CA B:SER98 4.5 39.0 1.0 CA B:ILE101 4.5 39.6 1.0 N B:ARG145 4.6 43.7 1.0 CA B:SER99 4.7 38.6 1.0 CA B:ARG145 4.8 42.6 1.0 CD1 B:LEU100 4.9 42.6 1.0

Y.Ding, X.Liu, F.Chen, H.Di, B.Xu, L.Zhou, X.Deng, M.Wu, C.G.Yang, L.Lan. Metabolic Sensor Governing Bacterial Virulence in Staphylococcus Aureus. Proc.Natl.Acad.Sci.Usa 2014.
ISSN: ESSN 1091-6490
PubMed: 25368190
DOI: 10.1073/PNAS.1411077111