Chlorine in PDB 2c6w: Penicillin-Binding Protein 1A (Pbp-1A) From Streptococcus Pneumoniae

The structure of Penicillin-Binding Protein 1A (Pbp-1A) From Streptococcus Pneumoniae, PDB code: 2c6w was solved by C.Contreras-Martel, V.Job, A.-M.Di Guilmi, T.Vernet, O.Dideberg, A.Dessen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.99 / 2.61
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	109.782, 187.256, 51.303, 90.00, 90.00, 90.00
R / Rfree (%)	24 / 27.6

The structure of Penicillin-Binding Protein 1A (Pbp-1A) From Streptococcus Pneumoniae also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

The binding sites of Chlorine atom in the Penicillin-Binding Protein 1A (Pbp-1A) From Streptococcus Pneumoniae (pdb code 2c6w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Penicillin-Binding Protein 1A (Pbp-1A) From Streptococcus Pneumoniae, PDB code: 2c6w:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Penicillin-Binding Protein 1A (Pbp-1A) From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Penicillin-Binding Protein 1A (Pbp-1A) From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl704 b:73.7 occ:1.00 OG B:SER428 3.4 53.7 1.0 OG1 B:THR558 3.5 58.9 1.0 OG B:SER370 3.5 46.1 1.0 O B:HOH2011 3.6 58.0 1.0 CB B:SER428 3.8 52.0 1.0 O B:THR558 3.9 56.2 1.0 CB B:SER370 3.9 46.1 1.0 CA B:GLY559 4.1 52.6 1.0 OG1 B:THR560 4.1 54.1 1.0 C B:THR558 4.1 55.7 1.0 N B:THR560 4.2 52.0 1.0 C B:GLY559 4.2 52.1 1.0 N B:GLY559 4.2 54.8 1.0 CB B:THR558 4.4 54.0 1.0 CB B:THR560 4.5 51.2 1.0 OG1 B:THR543 4.9 71.2 1.0 O B:GLY559 4.9 52.8 1.0 CA B:THR560 5.0 54.0 1.0 CA B:THR558 5.0 55.7 1.0

Chlorine binding site 2 out of 4 in the Penicillin-Binding Protein 1A (Pbp-1A) From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Penicillin-Binding Protein 1A (Pbp-1A) From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl705 b:99.7 occ:1.00 CB B:ASN443 3.2 73.7 1.0 N B:ARG444 3.5 51.1 1.0 N B:ASN443 3.6 62.5 1.0 CA B:GLY441 3.6 50.0 1.0 OD1 B:ASN443 3.7 94.5 1.0 CG B:ASN443 3.8 86.8 1.0 C B:GLY441 3.8 51.8 1.0 CA B:ASN443 3.8 62.3 1.0 N B:LEU442 4.1 52.7 1.0 C B:ASN443 4.2 55.4 1.0 O B:GLY441 4.3 50.2 1.0 O B:VAL440 4.3 46.7 1.0 CB B:ARG444 4.4 53.0 1.0 CL B:CL706 4.5 0.1 1.0 CG B:ARG444 4.5 53.6 1.0 CA B:ARG444 4.5 50.0 1.0 C B:LEU442 4.6 60.0 1.0 N B:GLY441 4.8 48.8 1.0 ND2 B:ASN443 4.9 88.7 1.0 NE B:ARG444 5.0 54.8 1.0 CA B:LEU442 5.0 56.9 1.0

Chlorine binding site 3 out of 4 in the Penicillin-Binding Protein 1A (Pbp-1A) From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Penicillin-Binding Protein 1A (Pbp-1A) From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl706 b:0.1 occ:1.00 CA B:GLY441 3.8 50.0 1.0 O B:LYS439 3.9 51.8 1.0 N B:GLY441 4.1 48.8 1.0 O B:VAL440 4.1 46.7 1.0 C B:VAL440 4.2 47.4 1.0 O B:ASN438 4.3 43.8 1.0 NH2 B:ARG444 4.4 56.0 1.0 CL B:CL705 4.5 99.7 1.0 C B:LYS439 4.5 49.8 1.0

Chlorine binding site 4 out of 4 in the Penicillin-Binding Protein 1A (Pbp-1A) From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Penicillin-Binding Protein 1A (Pbp-1A) From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl707 b:0.8 occ:1.00 OD1 B:ASP297 3.5 92.3 1.0 CG B:ASP297 4.4 93.5 1.0 OD2 B:ASP297 4.8 93.6 1.0

C.Contreras-Martel, V.Job, A.-M.Di Guilmi, T.Vernet, O.Dideberg, A.Dessen. Crystal Structure of Penicillin-Binding Protein 1A (PBP1A) Reveals A Mutational Hotspot Implicated in Beta-Lactam Resistance in Streptococcus Pneumoniae. J.Mol.Biol. V. 355 684 2006.
ISSN: ISSN 0022-2836
PubMed: 16316661
DOI: 10.1016/J.JMB.2005.10.030