Chlorine in PDB 4c0r: Molecular and Structural Basis of Glutathione Import in Gram-Positive Bacteria Via Gsht and the Cystine Abc Importer Tcybc of Streptococcus Mutans.

The structure of Molecular and Structural Basis of Glutathione Import in Gram-Positive Bacteria Via Gsht and the Cystine Abc Importer Tcybc of Streptococcus Mutans., PDB code: 4c0r was solved by B.Vergauwen, K.Verstraete, D.B.Senadheera, A.Dansercoer, D.G.Cvitkovitch, E.Guedon, S.N.Savvides, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.010 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.040, 103.120, 64.090, 90.00, 92.31, 90.00
R / Rfree (%)	15.54 / 18.31

The structure of Molecular and Structural Basis of Glutathione Import in Gram-Positive Bacteria Via Gsht and the Cystine Abc Importer Tcybc of Streptococcus Mutans. also contains other interesting chemical elements:

Cadmium

(Cd)

40 atoms

The binding sites of Chlorine atom in the Molecular and Structural Basis of Glutathione Import in Gram-Positive Bacteria Via Gsht and the Cystine Abc Importer Tcybc of Streptococcus Mutans. (pdb code 4c0r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Molecular and Structural Basis of Glutathione Import in Gram-Positive Bacteria Via Gsht and the Cystine Abc Importer Tcybc of Streptococcus Mutans., PDB code: 4c0r:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Molecular and Structural Basis of Glutathione Import in Gram-Positive Bacteria Via Gsht and the Cystine Abc Importer Tcybc of Streptococcus Mutans.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Molecular and Structural Basis of Glutathione Import in Gram-Positive Bacteria Via Gsht and the Cystine Abc Importer Tcybc of Streptococcus Mutans. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1258 b:16.1 occ:1.00 CD A:CD1240 2.5 10.9 0.9 CD A:CD1241 2.5 14.9 0.9 HA A:ASP40 2.9 17.3 1.0 O A:HOH2077 3.1 22.4 1.0 O A:HOH2005 3.1 15.3 1.0 OD2 A:ASP2 3.1 16.8 1.0 O A:HOH2007 3.5 13.9 1.0 O A:ASP40 3.7 16.8 1.0 CL A:CL1259 3.7 13.3 1.0 CA A:ASP40 3.8 14.4 1.0 HB2 A:ASP40 4.1 23.9 1.0 C A:ASP40 4.1 13.4 1.0 CG A:ASP2 4.2 15.4 1.0 O A:HOH2078 4.3 15.6 1.0 O A:SER39 4.3 14.2 1.0 OD1 A:ASP2 4.4 17.6 1.0 CB A:ASP40 4.4 19.9 1.0 HB3 A:ASP40 4.7 23.9 1.0 OD1 A:ASP43 4.7 13.8 1.0 N A:ASP40 4.9 14.8 1.0

Chlorine binding site 2 out of 6 in the Molecular and Structural Basis of Glutathione Import in Gram-Positive Bacteria Via Gsht and the Cystine Abc Importer Tcybc of Streptococcus Mutans.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Molecular and Structural Basis of Glutathione Import in Gram-Positive Bacteria Via Gsht and the Cystine Abc Importer Tcybc of Streptococcus Mutans. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1259 b:13.3 occ:1.00 CD A:CD1240 2.5 10.9 0.9 O A:HOH2001 3.0 15.9 1.0 OD1 A:ASP43 3.5 13.8 1.0 O A:HOH2084 3.6 14.4 1.0 O A:HOH2007 3.7 13.9 1.0 CL A:CL1258 3.7 16.1 1.0 CG A:ASP43 4.5 13.9 1.0 O A:HOH2077 4.6 22.4 1.0 OD2 A:ASP2 4.8 16.8 1.0 OD2 A:ASP43 4.8 12.9 1.0 O A:HOH2074 5.0 12.6 1.0 O A:HOH2023 5.0 16.9 1.0

Chlorine binding site 3 out of 6 in the Molecular and Structural Basis of Glutathione Import in Gram-Positive Bacteria Via Gsht and the Cystine Abc Importer Tcybc of Streptococcus Mutans.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Molecular and Structural Basis of Glutathione Import in Gram-Positive Bacteria Via Gsht and the Cystine Abc Importer Tcybc of Streptococcus Mutans. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1260 b:19.9 occ:1.00 CD B:CD1242 2.5 15.3 0.9 CD B:CD1243 2.6 15.2 0.8 HE3 A:LYS48 3.0 24.6 1.0 O A:HOH2104 3.1 19.4 1.0 HB2 B:HIS147 3.2 13.2 1.0 CL B:CL1253 3.4 19.9 1.0 OE1 A:GLU19 3.5 15.5 1.0 O B:HOH2204 3.5 18.9 1.0 HZ3 A:LYS48 3.5 34.4 1.0 HD3 A:LYS48 3.6 22.0 1.0 ND1 B:HIS147 3.6 16.4 1.0 OD2 B:ASP144 3.6 15.8 1.0 OE2 A:GLU19 3.7 14.5 1.0 CE A:LYS48 3.7 20.5 1.0 CD A:GLU19 3.8 16.1 1.0 OD1 B:ASP144 3.9 12.4 1.0 O A:HOH2035 4.0 26.2 1.0 NZ A:LYS48 4.0 28.6 1.0 CD A:LYS48 4.0 18.4 1.0 CG B:ASP144 4.0 13.2 1.0 CB B:HIS147 4.1 11.0 1.0 HD2 A:LYS48 4.1 22.0 1.0 CG B:HIS147 4.2 15.6 1.0 HZ2 A:LYS48 4.2 34.4 1.0 O B:HOH2205 4.4 30.6 1.0 O A:HOH2105 4.5 25.8 1.0 H B:ASP144 4.5 14.5 1.0 CE1 B:HIS147 4.6 15.1 1.0 HB3 B:HIS147 4.6 13.2 1.0 HE2 A:LYS48 4.6 24.6 1.0 HB3 B:GLU143 4.8 20.6 1.0 HE1 B:HIS147 4.8 18.1 1.0 HZ1 A:LYS48 4.8 34.4 1.0 OE1 B:GLU143 4.9 23.8 1.0 O A:HOH2036 4.9 18.4 1.0 HA B:HIS147 4.9 13.2 1.0 HG3 A:GLU19 5.0 14.3 1.0

Chlorine binding site 4 out of 6 in the Molecular and Structural Basis of Glutathione Import in Gram-Positive Bacteria Via Gsht and the Cystine Abc Importer Tcybc of Streptococcus Mutans.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Molecular and Structural Basis of Glutathione Import in Gram-Positive Bacteria Via Gsht and the Cystine Abc Importer Tcybc of Streptococcus Mutans. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1261 b:29.7 occ:1.00 O A:HOH2351 2.3 44.4 1.0 CD A:CD1242 2.5 15.2 0.8 HD2 A:HIS110 2.8 18.3 1.0 O A:HOH2180 3.1 32.4 1.0 CD2 A:HIS110 3.4 15.3 1.0 HB3 A:ASP158 3.5 16.9 1.0 NE2 A:HIS110 3.5 11.9 1.0 O A:HOH2257 3.5 31.9 1.0 OD1 A:ASP158 3.8 17.7 1.0 OD1 A:ASP100 3.8 18.5 1.0 CG A:ASP158 3.9 17.0 1.0 O A:HOH2181 4.0 11.5 1.0 CB A:ASP158 4.2 14.1 1.0 CD A:CD1249 4.3 51.2 0.7 HD12 A:ILE101 4.3 19.2 1.0 OD2 A:ASP158 4.4 15.1 1.0 HA A:ASP158 4.5 13.5 1.0 HG13 A:ILE101 4.6 19.5 1.0 HD13 A:ILE101 4.7 19.2 1.0 CG A:HIS110 4.7 13.6 1.0 CG A:ASP100 4.8 15.2 1.0 CE1 A:HIS110 4.8 15.2 1.0 HG A:SER99 4.8 19.7 1.0 OG A:SER99 4.8 16.4 1.0 HB2 A:ASP158 4.9 16.9 1.0 CD1 A:ILE101 4.9 16.0 1.0 CA A:ASP158 5.0 11.2 1.0 O A:HOH2258 5.0 35.0 1.0 OD2 A:ASP100 5.0 9.2 1.0

Chlorine binding site 5 out of 6 in the Molecular and Structural Basis of Glutathione Import in Gram-Positive Bacteria Via Gsht and the Cystine Abc Importer Tcybc of Streptococcus Mutans.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Molecular and Structural Basis of Glutathione Import in Gram-Positive Bacteria Via Gsht and the Cystine Abc Importer Tcybc of Streptococcus Mutans. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1262 b:15.3 occ:1.00 CD A:CD1243 2.1 19.9 0.8 O A:HOH2242 2.4 24.8 1.0 CD A:CD1245 2.8 19.1 0.8 HB2 A:HIS147 3.0 21.0 1.0 OE1 B:GLU19 3.2 18.0 1.0 O A:HOH2243 3.2 11.1 1.0 OE2 B:GLU19 3.2 17.6 1.0 ND1 A:HIS147 3.4 22.2 1.0 CD B:GLU19 3.4 19.7 1.0 O A:HOH2116 3.5 30.7 1.0 O A:HOH2347 3.7 28.2 1.0 CB A:HIS147 3.9 17.5 1.0 OD2 A:ASP144 3.9 19.1 1.0 CG A:HIS147 3.9 18.8 1.0 OD1 A:ASP144 4.0 13.1 1.0 CE B:LYS48 4.0 23.2 1.0 CG A:ASP144 4.2 12.5 1.0 HD3 B:LYS48 4.2 29.4 1.0 CE1 A:HIS147 4.3 20.2 1.0 O A:HOH2247 4.4 26.1 1.0 H A:ASP144 4.5 16.9 1.0 HB3 A:HIS147 4.5 21.0 1.0 HE1 A:HIS147 4.6 24.3 1.0 CD B:LYS48 4.6 24.5 1.0 HG3 B:GLU19 4.6 20.9 1.0 HA A:HIS147 4.6 15.2 1.0 CG B:GLU19 4.6 17.4 1.0 HD2 B:LYS48 4.6 29.4 1.0 CA A:HIS147 4.8 12.6 1.0 HB3 A:GLU143 4.8 26.5 1.0 H A:HIS147 4.8 15.3 1.0 OE1 A:GLU143 4.9 31.6 1.0 O A:HOH2241 4.9 42.2 1.0 HB2 B:GLU19 5.0 20.3 1.0

Chlorine binding site 6 out of 6 in the Molecular and Structural Basis of Glutathione Import in Gram-Positive Bacteria Via Gsht and the Cystine Abc Importer Tcybc of Streptococcus Mutans.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Molecular and Structural Basis of Glutathione Import in Gram-Positive Bacteria Via Gsht and the Cystine Abc Importer Tcybc of Streptococcus Mutans. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1253 b:19.9 occ:1.00 HH12 B:ARG150 2.2 18.1 0.4 CD B:CD1243 2.6 15.2 0.8 CD B:CD1242 2.6 15.3 0.9 NH1 B:ARG150 2.9 15.1 0.4 HB2 B:HIS147 3.1 13.2 1.0 HA B:HIS147 3.1 13.2 1.0 HB1 B:ALA146 3.2 15.1 1.0 HH11 B:ARG150 3.3 18.1 0.4 CL A:CL1260 3.4 19.9 1.0 HH22 B:ARG150 3.4 18.1 0.4 N B:HIS147 3.5 12.9 1.0 O A:HOH2036 3.5 18.4 1.0 CA B:HIS147 3.6 11.0 1.0 H B:HIS147 3.6 15.4 1.0 HB2 B:ALA146 3.7 15.1 1.0 OD1 B:ASP144 3.7 12.4 1.0 CB B:HIS147 3.7 11.0 1.0 C B:ALA146 3.8 9.9 1.0 OE1 A:GLU19 3.8 15.5 1.0 CB B:ALA146 3.8 12.6 1.0 CZ B:ARG150 3.8 15.1 0.4 O B:HOH2202 3.9 14.1 1.0 NH2 B:ARG150 3.9 15.1 0.4 O A:HOH2035 4.0 26.2 1.0 O B:HOH2204 4.1 18.9 1.0 ND1 B:HIS147 4.2 16.4 1.0 HE B:ARG150 4.2 18.1 0.6 O B:ALA146 4.3 11.9 1.0 O B:HOH2002 4.3 32.2 1.0 HA2 A:GLY22 4.4 19.3 1.0 CA B:ALA146 4.4 11.8 1.0 CG B:HIS147 4.4 15.6 1.0 HB3 B:HIS147 4.5 13.2 1.0 CG B:ASP144 4.6 13.2 1.0 OD2 B:ASP144 4.6 15.8 1.0 HB3 B:ALA146 4.6 15.1 1.0 HH21 B:ARG150 4.7 18.1 0.4 CD A:GLU19 4.8 16.1 1.0 OE2 A:GLU19 4.9 14.5 1.0 HH21 B:ARG150 5.0 18.1 0.6

B.Vergauwen, K.Verstraete, D.B.Senadheera, A.Dansercoer, D.G.Cvitkovitch, E.Guedon, S.N.Savvides. Molecular and Structural Basis of Glutathione Import in Gram-Positive Bacteria Via Gsht and the Cystine Abc Importer Tcybc of Streptococcus Mutans. Mol.Microbiol. V. 89 288 2013.
ISSN: ISSN 0950-382X
PubMed: 23701283
DOI: 10.1111/MMI.12274