Chlorine in PDB 3psq: Crystal Structure of SPY0129, A Streptococcus Pyogenes Class B Sortase Involved in Pilus Biogenesis

The structure of Crystal Structure of SPY0129, A Streptococcus Pyogenes Class B Sortase Involved in Pilus Biogenesis, PDB code: 3psq was solved by H.J.Kang, E.N.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.32
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	94.511, 94.511, 253.519, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 26.2

The structure of Crystal Structure of SPY0129, A Streptococcus Pyogenes Class B Sortase Involved in Pilus Biogenesis also contains other interesting chemical elements:

Zinc

(Zn)

19 atoms

The binding sites of Chlorine atom in the Crystal Structure of SPY0129, A Streptococcus Pyogenes Class B Sortase Involved in Pilus Biogenesis (pdb code 3psq). 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 SPY0129, A Streptococcus Pyogenes Class B Sortase Involved in Pilus Biogenesis, PDB code: 3psq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of SPY0129, A Streptococcus Pyogenes Class B Sortase Involved in Pilus Biogenesis


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 SPY0129, A Streptococcus Pyogenes Class B Sortase Involved in Pilus Biogenesis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl310 b:83.4 occ:1.00 O A:HOH318 3.1 52.2 1.0 O A:ALA174 3.8 46.0 1.0 OH A:TYR124 3.8 39.4 1.0 NE A:ARG229 3.9 42.7 1.0 CG A:PHE180 4.0 42.7 1.0 CD2 A:PHE180 4.1 43.7 1.0 CA A:ALA174 4.2 46.4 1.0 CD1 A:PHE180 4.3 40.8 1.0 CZ A:TYR124 4.3 40.9 1.0 CB A:PHE180 4.4 43.4 1.0 CB A:ALA174 4.4 45.8 1.0 C A:ALA174 4.5 46.7 1.0 O A:HOH277 4.5 54.4 1.0 CE1 A:TYR124 4.5 38.8 1.0 CE2 A:PHE180 4.5 44.3 1.0 CE1 A:PHE180 4.6 41.0 1.0 NH2 A:ARG229 4.6 46.1 1.0 CD A:ARG229 4.7 41.0 1.0 CZ A:PHE180 4.7 40.3 1.0 CZ A:ARG229 4.7 45.9 1.0 O A:ACY243 4.8 38.6 1.0 CG A:ARG229 5.0 42.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of SPY0129, A Streptococcus Pyogenes Class B Sortase Involved in Pilus Biogenesis


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 SPY0129, A Streptococcus Pyogenes Class B Sortase Involved in Pilus Biogenesis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl311 b:85.4 occ:1.00 O A:SER188 3.7 53.8 1.0 O A:VAL185 3.9 47.8 1.0 CA A:LYS190 4.0 57.7 1.0 N A:LYS190 4.1 56.3 1.0 NZ A:LYS190 4.2 73.1 1.0 CB A:PHE193 4.3 55.5 1.0 C A:SER189 4.3 55.2 1.0 O A:SER189 4.3 54.7 1.0 CG A:PHE193 4.4 55.3 1.0 OG A:SER188 4.4 55.0 1.0 CD2 A:PHE193 4.5 54.9 1.0 CB A:LYS190 4.6 58.4 1.0 CG1 A:VAL185 4.6 45.9 1.0 CD A:LYS119 4.6 60.6 1.0 C A:SER188 4.7 53.6 1.0 C A:VAL185 4.9 47.6 1.0 CB A:LYS119 4.9 49.9 1.0 CG A:LYS119 4.9 55.2 1.0 CE2 A:PHE215 4.9 55.4 1.0 CD1 A:PHE193 5.0 57.3 1.0

H.J.Kang, F.Coulibaly, T.Proft, E.N.Baker. Crystal Structure of SPY0129, A Streptococcus Pyogenes Class B Sortase Involved in Pilus Assembly Plos One V. 6 15969 2011.
ISSN: ESSN 1932-6203
PubMed: 21264317
DOI: 10.1371/JOURNAL.PONE.0015969