Chlorine in PDB 2x75: Staphylococcus Aureus Adenylosuccinate Lyase

All present enzymatic activity of Staphylococcus Aureus Adenylosuccinate Lyase:
4.3.2.2;

The structure of Staphylococcus Aureus Adenylosuccinate Lyase, PDB code: 2x75 was solved by P.K.Fyfe, A.Dawson, M.T.Hutchison, S.Cameron, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.50
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	81.647, 121.265, 105.727, 90.00, 90.00, 90.00
R / Rfree (%)	21.438 / 28.474

The binding sites of Chlorine atom in the Staphylococcus Aureus Adenylosuccinate Lyase (pdb code 2x75). 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 Adenylosuccinate Lyase, PDB code: 2x75:

Chlorine binding site 1 out of 1 in the Staphylococcus Aureus Adenylosuccinate Lyase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Staphylococcus Aureus Adenylosuccinate Lyase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1435 b:61.0 occ:1.00 N A:GLN215 3.2 9.4 1.0 NE A:ARG218 3.2 6.6 1.0 CG A:GLN215 3.3 6.6 1.0 NH2 A:ARG218 3.4 7.4 1.0 CB A:ALA207 3.5 13.1 1.0 CB A:GLN215 3.5 8.1 1.0 O A:VAL209 3.7 10.7 1.0 CZ A:ARG218 3.8 8.2 1.0 CA A:GLN215 3.9 9.1 1.0 CD2 A:LEU214 4.0 9.6 1.0 CA A:LEU214 4.1 10.0 1.0 C A:LEU214 4.1 9.7 1.0 CD A:ARG218 4.4 6.5 1.0 CD A:GLN215 4.5 2.3 1.0 CB A:SER210 4.5 10.9 1.0 NE2 A:GLN215 4.6 2.0 1.0 CB A:LEU214 4.6 10.2 1.0 CA A:SER210 4.6 10.6 1.0 CA A:ALA207 4.7 13.2 1.0 O A:GLN215 4.7 10.0 1.0 C A:VAL209 4.8 10.6 1.0 C A:GLN215 4.9 9.3 1.0 CG A:LEU214 5.0 10.5 1.0

P.K.Fyfe, A.Dawson, M.T.Hutchison, S.Cameron, W.N.Hunter. Structure of Staphylococcus Aureus Adenylosuccinate Lyase (Purb) and Assessment of Its Potential As A Target For Structure-Based Inhibitor Discovery. Acta Crystallogr.,Sect.D V. 66 881 2010.
ISSN: ISSN 0907-4449
PubMed: 20693687
DOI: 10.1107/S0907444910020081