Chlorine in PDB 4mr0: Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae

The structure of Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae, PDB code: 4mr0 was solved by K.Ponnuraj, D.S.J.Beulin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.590, 126.080, 63.480, 90.00, 99.60, 90.00
R / Rfree (%)	20.4 / 22.2

The structure of Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae also contains other interesting chemical elements:

Manganese	(Mn)	8 atoms
Calcium	(Ca)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae (pdb code 4mr0). 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 Pfba, A Surface Adhesin of Streptococcus Pneumoniae, PDB code: 4mr0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae


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 Pfba, A Surface Adhesin of Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:47.7 occ:1.00 O A:HOH1043 2.9 40.2 1.0 NZ A:LYS401 3.4 27.5 1.0 CE A:LYS401 3.8 19.6 1.0 OD1 A:ASN399 3.8 17.3 1.0 ND2 A:ASN399 4.1 15.6 1.0 CG A:ASN399 4.3 16.6 1.0 O A:HOH1074 4.3 48.6 1.0 O A:HOH1086 4.4 31.6 1.0 O A:HOH943 4.7 44.4 1.0 O A:HOH874 4.9 40.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae


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 Pfba, A Surface Adhesin of Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl703 b:56.6 occ:1.00 O B:HOH1036 3.0 43.7 1.0 NZ B:LYS401 3.3 25.1 1.0 OD1 B:ASN399 3.7 24.0 1.0 CE B:LYS401 3.8 21.8 1.0 ND2 B:ASN399 4.3 22.6 1.0 CG B:ASN399 4.3 20.1 1.0 O B:HOH967 4.4 32.3 1.0 O B:HOH1025 4.5 41.4 1.0 O B:HOH1023 4.9 39.1 1.0 O B:HOH850 5.0 22.3 1.0

D.S.J.Beulin, M.Yamaguchi, S.Kawabata, K.Ponnuraj. Crystal Structure of Pfba, A Surface Adhesin of Streptococcus Pneumoniae, Provides Hints Into Its Interaction with Fibronectin Int.J.Biol.Macromol. V. 64C 168 2013.
ISSN: ISSN 0141-8130
PubMed: 24321492
DOI: 10.1016/J.IJBIOMAC.2013.11.035