Chlorine in PDB 4gnr: 1.0 Angstrom Resolution Crystal Structure of the Branched-Chain Amino Acid Transporter Substrate Binding Protein Livj From Streptococcus Pneumoniae Str. Canada MDR_19A in Complex with Isoleucine

The structure of 1.0 Angstrom Resolution Crystal Structure of the Branched-Chain Amino Acid Transporter Substrate Binding Protein Livj From Streptococcus Pneumoniae Str. Canada MDR_19A in Complex with Isoleucine, PDB code: 4gnr was solved by A.S.Halavaty, M.Kudritska, Z.Wawrzak, P.J.Stogios, V.Yim, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.78 / 1.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.274, 72.819, 57.542, 90.00, 105.10, 90.00
R / Rfree (%)	12.6 / 14.7

The structure of 1.0 Angstrom Resolution Crystal Structure of the Branched-Chain Amino Acid Transporter Substrate Binding Protein Livj From Streptococcus Pneumoniae Str. Canada MDR_19A in Complex with Isoleucine also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the 1.0 Angstrom Resolution Crystal Structure of the Branched-Chain Amino Acid Transporter Substrate Binding Protein Livj From Streptococcus Pneumoniae Str. Canada MDR_19A in Complex with Isoleucine (pdb code 4gnr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 1.0 Angstrom Resolution Crystal Structure of the Branched-Chain Amino Acid Transporter Substrate Binding Protein Livj From Streptococcus Pneumoniae Str. Canada MDR_19A in Complex with Isoleucine, PDB code: 4gnr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the 1.0 Angstrom Resolution Crystal Structure of the Branched-Chain Amino Acid Transporter Substrate Binding Protein Livj From Streptococcus Pneumoniae Str. Canada MDR_19A in Complex with Isoleucine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.0 Angstrom Resolution Crystal Structure of the Branched-Chain Amino Acid Transporter Substrate Binding Protein Livj From Streptococcus Pneumoniae Str. Canada MDR_19A in Complex with Isoleucine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:16.2 occ:0.70 O A:HOH573 2.9 19.1 1.0 OD1 A:ASN247 3.1 12.3 0.5 NE2 A:GLN248 3.2 10.4 1.0 O A:HOH818 3.2 26.2 1.0 CG A:ASN247 3.7 10.8 0.5 CB A:LYS244 3.8 9.1 1.0 CG A:GLN248 3.9 9.6 1.0 CB A:ASN247 3.9 9.7 0.5 CG A:LYS244 3.9 9.2 1.0 CA A:LYS244 4.0 8.6 1.0 O A:LYS244 4.0 9.3 1.0 CD A:GLN248 4.0 9.7 1.0 CG A:ASN247 4.1 10.8 0.5 CB A:ASN247 4.1 10.5 0.5 ND2 A:ASN247 4.2 11.9 0.5 OD1 A:ASN247 4.4 14.8 0.5 C A:LYS244 4.4 8.4 1.0 CD A:LYS244 4.6 10.6 1.0 O A:HOH1061 4.6 33.1 1.0 O A:HOH602 4.6 17.0 1.0 ND2 A:ASN247 4.7 11.8 0.5 O A:THR216 4.8 12.4 1.0 O A:HOH759 4.8 22.4 1.0 N A:GLN248 4.9 9.1 1.0 O A:HOH943 4.9 34.1 1.0

Chlorine binding site 2 out of 2 in the 1.0 Angstrom Resolution Crystal Structure of the Branched-Chain Amino Acid Transporter Substrate Binding Protein Livj From Streptococcus Pneumoniae Str. Canada MDR_19A in Complex with Isoleucine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.0 Angstrom Resolution Crystal Structure of the Branched-Chain Amino Acid Transporter Substrate Binding Protein Livj From Streptococcus Pneumoniae Str. Canada MDR_19A in Complex with Isoleucine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:17.4 occ:0.70 O A:HOH1112 1.7 8.9 0.3 N A:ASP255 3.0 12.4 1.0 N A:LYS256 3.6 11.1 1.0 CB A:ASP255 3.8 14.1 1.0 CA A:ASP255 3.8 12.8 1.0 O A:GLY253 3.9 15.2 1.0 CG A:LYS256 3.9 13.6 1.0 CA A:ILE254 4.0 12.1 1.0 C A:ILE254 4.0 11.6 1.0 C A:ASP255 4.1 11.2 1.0 CG A:ASP255 4.4 18.6 1.0 CB A:LYS256 4.5 11.0 1.0 CA A:LYS256 4.5 10.4 1.0 O A:HOH878 4.6 28.7 1.0 OD2 A:ASP255 4.7 22.0 1.0 CG2 A:ILE254 4.7 14.5 1.0 C A:GLY253 4.8 12.8 1.0 O A:HOH1068 4.8 53.6 1.0 CD A:LYS256 4.9 13.6 1.0 O A:HOH735 4.9 20.4 1.0 N A:ILE254 4.9 11.9 1.0 CB A:ILE254 4.9 12.1 1.0

A.S.Halavaty, M.Kudritska, Z.Wawrzak, P.J.Stogios, V.Yim, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.0 Angstrom Resolution Crystal Structure of the Branched-Chain Amino Acid Transporter Substrate Binding Protein Livj From Streptococcus Pneumoniae Str. Canada MDR_19A in Complex with Isoleucine To Be Published.