Chlorine in PDB 2heu: Atomic Resolution Structure of Apo-Form of Rafe From Streptococcus Pneumoniae

The structure of Atomic Resolution Structure of Apo-Form of Rafe From Streptococcus Pneumoniae, PDB code: 2heu was solved by N.G.Paterson, A.Riboldi-Tunnicliffe, T.J.Mitchell, N.W.Isaacs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.82 / 1.04
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	77.219, 129.315, 119.420, 90.00, 94.21, 90.00
R / Rfree (%)	13 / 15.7

The structure of Atomic Resolution Structure of Apo-Form of Rafe From Streptococcus Pneumoniae also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Atomic Resolution Structure of Apo-Form of Rafe From Streptococcus Pneumoniae (pdb code 2heu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Atomic Resolution Structure of Apo-Form of Rafe From Streptococcus Pneumoniae, PDB code: 2heu:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Atomic Resolution Structure of Apo-Form of Rafe 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 Atomic Resolution Structure of Apo-Form of Rafe From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl3002 b:12.9 occ:0.70 O A:HOH4115 2.6 18.6 1.0 O A:HOH4290 3.0 25.1 1.0 NZ A:LYS230 3.1 11.5 1.0 N A:LYS230 3.3 8.6 1.0 O A:HOH4165 3.3 22.0 1.0 N A:SER229 3.5 9.2 1.0 CE A:LYS230 3.7 10.9 1.0 N A:GLY228 3.7 10.2 1.0 CB A:LYS230 3.7 8.9 1.0 C A:GLY228 4.0 9.8 1.0 CA A:LYS230 4.0 8.9 1.0 CA A:GLY228 4.0 11.2 1.0 OG A:SER229 4.0 9.7 1.0 O A:ILE226 4.1 9.0 1.0 O A:LYS230 4.1 9.4 1.0 CG A:LYS230 4.2 9.0 1.0 O A:HOH4845 4.2 14.2 0.4 C A:SER229 4.2 8.6 1.0 CA A:SER229 4.3 9.0 1.0 C A:LYS230 4.4 8.6 1.0 CD A:LYS230 4.5 9.6 1.0 O A:HOH4190 4.5 22.3 1.0 NE1 A:TRP234 4.7 10.2 1.0 ND2 A:ASN227 4.7 15.5 0.5 C A:ASN227 4.7 10.0 1.0 CB A:SER229 4.8 9.8 1.0 O A:HOH4280 4.8 25.2 1.0 O A:GLY228 4.8 10.8 1.0 CD1 A:TRP234 4.9 9.4 1.0 O A:HOH4845 5.0 15.8 0.6

Chlorine binding site 2 out of 3 in the Atomic Resolution Structure of Apo-Form of Rafe 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 Atomic Resolution Structure of Apo-Form of Rafe From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl3001 b:8.5 occ:0.65 O B:HOH3060 3.1 13.2 1.0 N B:ILE213 3.4 7.8 1.0 CB B:ASP211 3.5 8.0 1.0 CD B:PRO212 3.6 9.6 1.0 N B:PRO212 3.6 8.7 1.0 CG1 B:ILE213 3.7 8.9 1.0 CD1 B:ILE213 3.7 10.9 1.0 CB B:ILE213 3.8 7.6 1.0 CE2 B:TYR198 3.9 8.2 1.0 CG B:ASP211 4.1 8.2 1.0 C B:ASP211 4.1 8.3 1.0 CA B:ASP211 4.1 8.2 1.0 CA B:ILE213 4.2 7.5 1.0 CA B:PRO212 4.3 8.9 1.0 CB B:PRO212 4.3 10.3 1.0 C B:PRO212 4.3 8.1 1.0 CG B:PRO212 4.4 11.5 1.0 OD1 B:ASP211 4.4 9.4 1.0 CD2 B:TYR198 4.5 8.2 1.0 OD2 B:ASP211 4.5 8.6 1.0 CZ B:TYR198 4.8 8.3 1.0 O B:HOH3245 4.8 20.4 1.0 O B:ASP211 4.9 8.7 1.0

Chlorine binding site 3 out of 3 in the Atomic Resolution Structure of Apo-Form of Rafe 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 Atomic Resolution Structure of Apo-Form of Rafe From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl3003 b:13.5 occ:0.60 O B:HOH3099 3.0 18.0 1.0 NZ B:LYS230 3.1 10.1 1.0 O B:HOH3382 3.2 26.2 1.0 N B:LYS230 3.2 7.8 1.0 N B:SER229 3.5 8.3 1.0 CB B:LYS230 3.6 8.2 1.0 CE B:LYS230 3.7 9.6 1.0 O B:HOH3815 3.8 41.1 0.5 OG B:SER229 3.8 8.8 1.0 CA B:LYS230 3.9 8.0 1.0 N B:GLY228 4.0 8.5 1.0 C B:GLY228 4.0 8.4 1.0 CG B:LYS230 4.1 7.9 1.0 O B:LYS230 4.1 10.4 1.0 C B:SER229 4.1 7.9 1.0 O B:ILE226 4.2 7.5 1.0 CA B:SER229 4.2 8.7 1.0 CA B:GLY228 4.2 9.2 1.0 O B:HOH3834 4.3 30.1 1.0 C B:LYS230 4.4 8.6 1.0 O B:HOH3393 4.4 26.0 1.0 CD B:LYS230 4.5 8.9 1.0 CB B:SER229 4.6 8.6 1.0 O B:HOH3476 4.8 29.3 1.0 O B:GLY228 4.8 9.5 1.0 NE1 B:TRP234 4.8 8.8 1.0 CD1 B:TRP234 5.0 8.6 1.0

N.G.Paterson, A.Riboldi-Tunnicliffe, T.J.Mitchell, N.W.Isaacs. High Resolution Crystal Structures of Rafe From Streptococcus Pneumoniae. To Be Published.