Cadmium 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:

Chlorine

(Cl)

6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40;

Binding sites:

The binding sites of Cadmium 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 Cadmium atom.
In total 40 binding sites of Cadmium 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 Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Cadmium binding site 1 out of 40 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 Cadmium with other atoms in the Cd 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:Cd1240 b:10.9 occ:0.88 OD1 A:ASP43 2.2 13.8 1.0 OD2 A:ASP2 2.3 16.8 1.0 O A:HOH2007 2.3 13.9 1.0 CL A:CL1258 2.5 16.1 1.0 CL A:CL1259 2.5 13.3 1.0 CG A:ASP43 3.2 13.9 1.0 CG A:ASP2 3.5 15.4 1.0 OD2 A:ASP43 3.5 12.9 1.0 CD A:CD1241 3.7 14.9 0.9 O A:HOH2005 3.9 15.3 1.0 HB2 A:ASP2 4.1 19.4 1.0 O A:HOH2001 4.2 15.9 1.0 HA A:ASP40 4.2 17.3 1.0 CB A:ASP2 4.3 16.2 1.0 O A:TYR42 4.3 11.3 1.0 HB3 A:ASP2 4.4 19.4 1.0 OD1 A:ASP2 4.4 17.6 1.0 HA A:ASP43 4.4 14.7 1.0 O A:ASP40 4.5 16.8 1.0 O A:HOH2084 4.5 14.4 1.0 CB A:ASP43 4.6 11.2 1.0 O A:SER39 4.6 14.2 1.0 O A:HOH2077 4.7 22.4 1.0 C A:ASP40 4.8 13.4 1.0 C A:TYR42 4.8 11.3 1.0 CA A:ASP43 4.9 12.2 1.0 CA A:ASP40 5.0 14.4 1.0 O A:HOH2074 5.0 12.6 1.0 N A:ASP43 5.0 11.1 1.0

Cadmium binding site 2 out of 40 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 Cadmium with other atoms in the Cd 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:Cd1241 b:14.9 occ:0.86 O A:ASP40 2.3 16.8 1.0 OD1 A:ASP2 2.3 17.6 1.0 O A:HOH2078 2.4 15.6 1.0 O A:HOH2005 2.4 15.3 1.0 OD2 A:ASP2 2.5 16.8 1.0 CL A:CL1258 2.5 16.1 1.0 CG A:ASP2 2.7 15.4 1.0 HB2 A:ASP40 3.3 23.9 1.0 C A:ASP40 3.3 13.4 1.0 HA A:ASP40 3.4 17.3 1.0 CD A:CD1240 3.7 10.9 0.9 CA A:ASP40 3.8 14.4 1.0 O A:HOH2006 3.9 32.5 1.0 CB A:ASP40 4.0 19.9 1.0 CB A:ASP2 4.3 16.2 1.0 N A:LYS41 4.5 12.9 1.0 HA A:LYS41 4.5 17.8 1.0 O A:HOH2007 4.6 13.9 1.0 HB3 A:ASP40 4.6 23.9 1.0 HB3 A:ASP2 4.7 19.4 1.0 HB2 A:ASP2 4.7 19.4 1.0 O A:HOH2079 4.7 28.6 1.0 HA A:ASP2 4.8 20.7 1.0 O A:HOH2002 4.8 21.3 1.0 CA A:LYS41 4.9 14.8 1.0

Cadmium binding site 3 out of 40 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 Cadmium with other atoms in the Cd 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:Cd1242 b:15.2 occ:0.80 NE2 A:HIS110 2.1 11.9 1.0 OD1 A:ASP100 2.2 18.5 1.0 O A:HOH2181 2.3 11.5 1.0 CL A:CL1261 2.5 29.7 1.0 OD2 A:ASP100 2.6 9.2 1.0 CG A:ASP100 2.7 15.2 1.0 CD2 A:HIS110 3.0 15.3 1.0 HD2 A:HIS110 3.1 18.3 1.0 CE1 A:HIS110 3.2 15.2 1.0 HE1 A:HIS110 3.4 18.2 1.0 O A:HOH2351 3.8 44.4 1.0 HG13 A:ILE101 3.8 19.5 1.0 CB A:ASP100 4.2 16.9 1.0 CG A:HIS110 4.2 13.6 1.0 ND1 A:HIS110 4.3 17.9 1.0 O A:HOH2180 4.3 32.4 1.0 HD12 A:ILE101 4.3 19.2 1.0 H A:ASP100 4.4 17.4 1.0 HB3 A:ASP100 4.4 20.3 1.0 CG1 A:ILE101 4.6 16.3 1.0 HG12 A:ILE101 4.7 19.5 1.0 HB2 A:ASP100 4.8 20.3 1.0 CD1 A:ILE101 4.9 16.0 1.0 OG A:SER99 4.9 16.4 1.0 N A:ASP100 5.0 14.5 1.0 HD13 A:ILE101 5.0 19.2 1.0

Cadmium binding site 4 out of 40 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 Cadmium with other atoms in the Cd 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:Cd1243 b:19.9 occ:0.85 CL A:CL1262 2.1 15.3 1.0 O A:HOH2247 2.2 26.1 1.0 ND1 A:HIS147 2.3 22.2 1.0 OE2 B:GLU19 2.3 17.6 1.0 OE1 B:GLU19 2.4 18.0 1.0 O A:HOH2243 2.6 11.1 1.0 CD B:GLU19 2.7 19.7 1.0 HB2 A:HIS147 3.0 21.0 1.0 CG A:HIS147 3.2 18.8 1.0 CE1 A:HIS147 3.3 20.2 1.0 HA A:HIS147 3.3 15.2 1.0 HE1 A:HIS147 3.5 24.3 1.0 CB A:HIS147 3.5 17.5 1.0 CD A:CD1245 3.9 19.1 0.8 CA A:HIS147 3.9 12.6 1.0 HA2 B:GLY22 4.0 26.9 1.0 O A:HOH2242 4.0 24.8 1.0 HD3 B:LYS48 4.1 29.4 1.0 O A:HOH2246 4.2 21.2 1.0 CG B:GLU19 4.2 17.4 1.0 O B:GLY22 4.2 20.9 1.0 HB3 A:HIS147 4.4 21.0 1.0 NE2 A:HIS147 4.4 18.0 1.0 CD2 A:HIS147 4.4 19.8 1.0 O B:HOH2020 4.5 33.7 1.0 HG3 B:GLU19 4.6 20.9 1.0 HD2 B:LYS48 4.6 29.4 1.0 N A:HIS147 4.6 12.8 1.0 HG2 B:GLU19 4.6 20.9 1.0 HD2 A:ARG150 4.6 18.1 0.4 H A:HIS147 4.7 15.3 1.0 HH11 A:ARG150 4.7 18.1 0.4 CD B:LYS48 4.7 24.5 1.0 HD2 A:ARG150 4.7 18.1 0.6 HB3 B:GLU19 4.8 20.3 1.0 OD1 A:ASP144 4.8 13.1 1.0 CA B:GLY22 4.8 22.4 1.0 CE B:LYS48 4.9 23.2 1.0 HB2 B:GLU19 4.9 20.3 1.0 C B:GLY22 4.9 23.5 1.0 CB B:GLU19 4.9 16.9 1.0 O A:HOH2347 4.9 28.2 1.0

Cadmium binding site 5 out of 40 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 Cadmium with other atoms in the Cd 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:Cd1244 b:15.4 occ:0.74 OE4 B:GDS500 2.2 22.8 1.0 OE4 A:GDS500 2.3 20.3 1.0 OE2 A:GLU50 2.3 22.6 1.0 OE2 B:GLU50 2.3 25.2 1.0 OE1 A:GLU50 2.5 23.0 1.0 OE1 B:GLU50 2.6 25.3 1.0 OE3 B:GDS500 2.6 23.1 1.0 CD A:GLU50 2.7 23.0 1.0 C3 B:GDS500 2.8 21.9 1.0 CD B:GLU50 2.8 19.7 1.0 OE3 A:GDS500 2.8 27.0 1.0 C3 A:GDS500 3.0 20.6 1.0 O A:HOH2110 4.0 29.3 1.0 O A:HOH2346 4.1 28.8 1.0 O A:HOH2345 4.1 22.3 1.0 CG A:GLU50 4.2 13.3 1.0 O A:HOH2238 4.3 22.9 1.0 O A:HOH2109 4.3 15.9 1.0 O A:HOH2112 4.3 30.7 1.0 CA3 B:GDS500 4.3 20.7 1.0 O B:HOH2069 4.3 20.3 1.0 O A:HOH2111 4.4 35.3 1.0 O A:HOH2108 4.4 35.3 1.0 CG B:GLU50 4.4 15.8 1.0 O A:HOH2106 4.4 23.4 1.0 CA3 A:GDS500 4.5 19.4 1.0 HG2 A:GLU50 4.5 15.9 1.0 CD A:CD1252 4.6 13.0 0.2 HG3 A:GLU50 4.6 15.9 1.0 HG2 B:GLU50 4.7 18.9 1.0 HG3 B:GLU50 4.7 18.9 1.0 HA32 B:GDS500 4.7 24.9 1.0 CD A:CD1254 4.7 13.8 0.2 HB2 A:SER142 4.8 27.7 0.8 HB3 A:SER142 4.8 27.7 0.2 N3 B:GDS500 4.8 20.6 1.0 HA31 A:GDS500 4.8 23.3 1.0 HA31 B:GDS500 4.9 24.9 1.0 N3 A:GDS500 4.9 19.1 1.0 HB2 B:SER142 4.9 26.4 1.0 HN3 B:GDS500 5.0 24.8 1.0

Cadmium binding site 6 out of 40 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 Cadmium with other atoms in the Cd 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 A:Cd1245 b:19.1 occ:0.80 OD2 A:ASP144 2.2 19.1 1.0 OD1 A:ASP144 2.4 13.1 1.0 O A:HOH2347 2.5 28.2 1.0 O A:HOH2243 2.5 11.1 1.0 O A:HOH2244 2.6 16.0 1.0 CG A:ASP144 2.7 12.5 1.0 CL A:CL1262 2.8 15.3 1.0 HB2 A:HIS147 3.5 21.0 1.0 HB1 A:ALA146 3.5 16.2 1.0 O A:HOH2242 3.8 24.8 1.0 H A:HIS147 3.8 15.3 1.0 CD A:CD1243 3.9 19.9 0.8 O A:HOH2245 4.1 27.2 1.0 CB A:ASP144 4.1 13.7 1.0 O A:HOH2116 4.2 30.7 1.0 N A:HIS147 4.3 12.8 1.0 CB A:HIS147 4.4 17.5 1.0 O A:HOH2014 4.4 31.1 1.0 O A:HOH2019 4.4 11.7 1.0 CB A:ALA146 4.5 13.5 1.0 HB3 A:ASP144 4.5 16.4 1.0 HB2 A:ASP144 4.5 16.4 1.0 H A:ASP144 4.6 16.9 1.0 OE1 B:GLU19 4.8 18.0 1.0 HA A:HIS147 4.8 15.2 1.0 H A:ALA146 4.8 12.9 1.0 CA A:HIS147 4.8 12.6 1.0 HB2 A:ALA146 4.8 16.2 1.0 HB3 A:HIS147 4.8 21.0 1.0 O A:HOH2117 4.8 16.7 1.0 O A:HOH2252 4.9 36.8 1.0 HB3 A:ALA146 5.0 16.2 1.0

Cadmium binding site 7 out of 40 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 Cadmium with other atoms in the Cd binding site number 7 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:Cd1246 b:12.4 occ:0.48 O A:HOH2227 2.1 5.2 1.0 OE1 A:GLU132 2.2 23.4 1.0 O A:HOH2226 2.3 26.4 1.0 OE2 A:GLU132 2.3 27.1 1.0 O A:HOH2225 2.5 19.5 1.0 CD A:GLU132 2.5 24.0 1.0 CG A:GLU132 4.0 30.1 1.0 CD A:CD1265 4.1 17.8 0.2 O A:HOH2223 4.2 36.3 1.0 HG2 A:GLU132 4.4 36.1 1.0 HG3 A:GLU132 4.5 36.1 1.0 HB2 A:GLU132 4.7 36.3 1.0 CB A:GLU132 4.9 30.2 1.0 HB3 A:GLU132 4.9 36.3 1.0

Cadmium binding site 8 out of 40 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 Cadmium with other atoms in the Cd binding site number 8 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:Cd1247 b:10.7 occ:0.29 O A:HOH2090 2.4 28.6 1.0 O A:HOH2349 2.4 21.2 1.0 O A:HOH2348 2.5 31.6 1.0 O A:HOH2100 2.6 10.5 1.0 O A:HOH2101 2.7 9.0 1.0 O A:HOH2098 2.7 20.4 1.0 HE22 A:GLN47 2.8 22.7 1.0 OE1 A:GLN47 3.0 19.9 1.0 NE2 A:GLN47 3.3 18.9 1.0 HE2 B:HIS147 3.4 19.1 1.0 CD A:GLN47 3.5 17.8 1.0 HZ2 A:LYS45 3.7 35.9 0.4 HD22 B:ASN151 3.7 18.8 1.0 HA A:GLN47 3.8 13.7 1.0 HZ1 A:LYS45 3.9 35.9 0.4 HE21 A:GLN47 4.0 22.7 1.0 O A:HOH2099 4.1 35.4 1.0 H A:LYS48 4.2 15.4 1.0 NE2 B:HIS147 4.2 15.9 1.0 NZ A:LYS45 4.3 29.9 0.4 O B:HOH2207 4.3 34.3 1.0 ND2 B:ASN151 4.4 15.7 1.0 O A:TYR46 4.5 13.9 1.0 OD1 B:ASN151 4.6 16.3 1.0 CA A:GLN47 4.7 11.4 1.0 HZ3 A:LYS45 4.8 35.9 0.4 O A:HOH2095 4.9 25.8 1.0 CG A:GLN47 4.9 15.5 1.0 CG B:ASN151 4.9 15.3 1.0 HE2 B:TYR157 4.9 19.8 1.0 N A:LYS48 4.9 12.8 1.0 HE1 B:HIS147 5.0 18.1 1.0 HE2 A:LYS45 5.0 40.5 0.4

Cadmium binding site 9 out of 40 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 Cadmium with other atoms in the Cd binding site number 9 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:Cd1248 b:22.8 occ:0.30 OD1 A:ASP154 2.3 29.8 1.0 OD2 A:ASP154 2.3 25.7 1.0 O A:HOH2250 2.3 35.6 1.0 O A:HOH2251 2.5 33.4 1.0 CG A:ASP154 2.6 22.6 1.0 O A:HOH2350 2.6 47.4 1.0 HG2 A:ARG150 3.1 18.1 0.6 HG3 A:ARG150 3.2 18.1 0.4 HD3 A:ARG150 3.3 18.1 0.6 HD3 A:ARG150 3.4 18.1 0.4 HH11 A:ARG150 3.4 18.1 0.6 HG2 A:ARG150 3.5 18.1 0.4 HG3 A:ARG150 3.6 18.1 0.6 HE A:ARG150 3.7 18.1 0.4 CG A:ARG150 3.7 15.1 0.4 CG A:ARG150 3.7 15.1 0.6 CD A:ARG150 3.9 15.1 0.4 CD A:ARG150 3.9 15.1 0.6 CB A:ASP154 4.1 18.4 1.0 O B:HOH2021 4.1 13.5 1.0 NE A:ARG150 4.2 15.1 0.4 O A:HOH2253 4.2 31.6 1.0 NH1 A:ARG150 4.3 15.1 0.6 HB3 A:ASP154 4.4 22.1 1.0 HD2 A:ARG150 4.4 18.1 0.6 HB2 A:ASP154 4.5 22.1 1.0 O A:ARG150 4.7 15.1 0.4 O A:ARG150 4.7 15.1 0.6 HH12 A:ARG150 4.7 18.1 0.6 HA A:ASP154 4.8 22.2 1.0 HD2 A:ARG150 4.8 18.1 0.4 CA A:ASP154 4.9 18.5 1.0 HB3 A:SER153 5.0 20.7 1.0

Cadmium binding site 10 out of 40 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 Cadmium with other atoms in the Cd binding site number 10 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:Cd1249 b:51.2 occ:0.67 O A:HOH2258 2.0 35.0 1.0 OD2 A:ASP158 2.4 15.1 1.0 OD1 A:ASP158 2.4 17.7 1.0 O A:HOH2194 2.6 30.4 1.0 CG A:ASP158 2.7 17.0 1.0 O A:HOH2351 3.2 44.4 1.0 HD2 A:HIS110 3.7 18.3 1.0 O A:HOH2193 4.0 40.1 1.0 HG A:SER111 4.1 29.0 0.4 H A:SER111 4.1 17.8 0.6 H A:SER111 4.1 17.8 0.4 OG A:SER111 4.2 24.2 0.4 CB A:ASP158 4.2 14.1 1.0 HA A:HIS110 4.3 16.5 1.0 CL A:CL1261 4.3 29.7 1.0 HB3 A:ASP158 4.5 16.9 1.0 CD2 A:HIS110 4.5 15.3 1.0 HB3 A:SER111 4.5 22.2 0.4 HB3 A:SER111 4.6 22.2 0.6 HB2 A:ASP158 4.6 16.9 1.0 HB2 A:SER111 4.7 22.2 0.6 N A:SER111 4.8 14.9 1.0 CB A:SER111 4.9 18.5 0.4

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