Chlorine in PDB 4mut: Crystal Structure of Vancomycin Resistance D,D-Dipeptidase/D,D- Pentapeptidase Vanxyc D59S Mutant in Complex with D-Alanine

The structure of Crystal Structure of Vancomycin Resistance D,D-Dipeptidase/D,D- Pentapeptidase Vanxyc D59S Mutant in Complex with D-Alanine, PDB code: 4mut was solved by P.J.Stogios, E.Evdokimova, D.Meziane-Cherif, R.Di Leo, V.Yim, P.Courvalin, A.Savchenko, W.F.Anderson, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.57 / 2.25
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	44.674, 45.214, 63.014, 86.69, 77.20, 63.88
R / Rfree (%)	16.1 / 18.5

The structure of Crystal Structure of Vancomycin Resistance D,D-Dipeptidase/D,D- Pentapeptidase Vanxyc D59S Mutant in Complex with D-Alanine also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Vancomycin Resistance D,D-Dipeptidase/D,D- Pentapeptidase Vanxyc D59S Mutant in Complex with D-Alanine (pdb code 4mut). 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 Crystal Structure of Vancomycin Resistance D,D-Dipeptidase/D,D- Pentapeptidase Vanxyc D59S Mutant in Complex with D-Alanine, PDB code: 4mut:

Chlorine binding site 1 out of 1 in the Crystal Structure of Vancomycin Resistance D,D-Dipeptidase/D,D- Pentapeptidase Vanxyc D59S Mutant in Complex with D-Alanine


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 Vancomycin Resistance D,D-Dipeptidase/D,D- Pentapeptidase Vanxyc D59S Mutant in Complex with D-Alanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:64.5 occ:1.00 NH2 B:ARG69 3.1 38.0 1.0 N A:LEU22 3.4 38.1 1.0 O B:HOH390 3.5 46.9 1.0 O A:HOH393 3.5 59.2 1.0 O A:LEU22 3.5 40.0 1.0 NE B:ARG69 3.6 42.7 1.0 CB A:HIS21 3.7 42.3 1.0 CA A:HIS21 3.8 41.7 1.0 CZ B:ARG69 3.8 37.7 1.0 CG A:HIS21 3.9 54.5 1.0 C A:HIS21 4.0 39.1 1.0 ND1 A:HIS21 4.2 60.7 1.0 C A:LEU22 4.3 34.1 1.0 CA A:LEU22 4.4 35.5 1.0 CD2 A:HIS21 4.6 59.4 1.0 CE1 A:HIS21 4.9 60.4 1.0 CD B:ARG69 4.9 29.9 1.0

D.Meziane-Cherif, P.J.Stogios, E.Evdokimova, A.Savchenko, P.Courvalin. Structural Basis For the Evolution of Vancomycin Resistance D,D-Peptidases. Proc.Natl.Acad.Sci.Usa V. 111 5872 2014.
ISSN: ISSN 0027-8424
PubMed: 24711382
DOI: 10.1073/PNAS.1402259111