Magnesium 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:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium 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 Magnesium atom.
In total 3 binding sites of Magnesium 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 Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 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 Magnesium with other atoms in the Mg 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:Mg402 b:12.4 occ:0.50 O A:HOH605 2.0 15.4 1.0 O A:HOH1107 2.0 26.8 1.0 O A:HOH1105 2.0 23.3 1.0 O A:HOH656 2.0 18.4 1.0 O A:HOH861 2.1 20.8 1.0 O A:HOH1106 2.1 22.9 1.0 O A:HOH1111 4.0 37.0 1.0 O A:HOH854 4.2 36.7 1.0 OD2 A:ASP86 4.3 9.9 1.0 O A:HOH533 4.3 12.9 1.0 O A:HOH572 4.3 16.2 1.0 O A:HOH523 4.4 11.5 1.0 O A:HOH951 4.5 33.5 1.0 CB A:ASP86 4.6 9.0 1.0 CG A:ASP86 4.8 8.1 1.0

Magnesium binding site 2 out of 3 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 Magnesium with other atoms in the Mg 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:Mg403 b:10.5 occ:0.50 O A:HOH1080 1.6 13.2 0.5 O A:HOH1082 2.0 15.3 1.0 O A:HOH1081 2.0 19.7 1.0 O A:HOH737 2.1 22.1 1.0 OD2 A:ASP229 2.1 13.6 0.7 O A:HOH1080 2.2 11.5 0.5 O A:HOH1083 2.3 13.0 1.0 CG A:ASP229 3.0 12.9 0.7 OD1 A:ASP229 3.2 13.7 0.7 NZ A:LYS178 3.8 21.0 0.5 OD1 A:ASP231 4.2 19.6 1.0 O A:HOH826 4.4 63.0 0.8 O A:HOH994 4.4 40.2 1.0 CB A:ASP229 4.5 12.6 0.7 CE A:LYS178 4.5 19.4 0.5 CB A:ASP229 4.6 17.6 0.3 O A:HOH955 4.9 18.8 0.5

Magnesium binding site 3 out of 3 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 Magnesium with other atoms in the Mg binding site number 3 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:Mg404 b:17.4 occ:0.50 O A:HOH1088 2.0 27.6 1.0 O A:HOH1087 2.1 20.7 0.5 O A:HOH975 2.1 18.1 0.5 O A:HOH1085 2.3 16.1 0.5 OD2 A:ASP302 3.0 16.2 0.5 O A:HOH708 3.8 21.0 1.0 CG A:ASP302 3.8 14.1 0.5 OD1 A:ASP302 4.0 16.6 0.5 O A:HOH655 4.4 16.8 1.0 CB A:ASP302 5.0 9.6 0.5

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.