Magnesium in PDB 4exl: Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A

The structure of Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A, PDB code: 4exl was solved by P.J.Stogios, Z.Wawrzak, M.Kudritska, G.Minasov, 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)	24.85 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.633, 76.501, 111.066, 90.00, 93.88, 90.00
R / Rfree (%)	16.5 / 21.1

The structure of Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A also contains other interesting chemical elements:

Chlorine

(Cl)

7 atoms

The binding sites of Magnesium atom in the Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A (pdb code 4exl). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A, PDB code: 4exl:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in the Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:15.6 occ:0.37 O A:HOH624 2.0 33.2 1.0 OE1 A:GLU141 2.1 34.5 1.0 O A:HOH576 2.1 37.1 1.0 O D:HOH673 2.1 48.4 1.0 O D:HOH424 2.2 27.1 1.0 CD A:GLU141 3.2 30.4 1.0 CG A:GLU141 3.6 26.7 1.0 O D:GLY144 4.0 27.3 1.0 O A:HOH688 4.1 29.9 0.6 O D:HOH434 4.2 34.5 1.0 OE2 A:GLU141 4.2 29.5 1.0 O A:HOH766 4.3 44.0 1.0 O A:HOH597 4.3 38.0 1.0 O D:LYS140 4.3 23.4 1.0 CB A:GLU141 4.4 22.8 1.0 O A:GLU135 4.7 30.3 1.0 O A:HOH641 4.7 37.8 1.0 CB D:LYS140 4.7 23.8 1.0 O A:HOH688 4.9 27.1 0.4

Magnesium binding site 2 out of 6 in the Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:20.5 occ:0.50 O A:HOH708 2.1 37.5 1.0 O A:HOH790 2.1 38.9 1.0 O A:HOH547 2.1 30.4 1.0 O A:HOH643 2.1 40.7 1.0 O A:HOH796 2.1 34.3 1.0 OG A:SER98 2.2 26.8 1.0 CB A:SER98 3.3 26.2 1.0 OD2 A:ASP96 4.2 26.6 1.0 C A:SER98 4.2 24.0 1.0 OD1 A:ASP96 4.3 22.9 1.0 O A:SER98 4.3 27.0 1.0 CA A:SER98 4.4 23.6 1.0 N A:ALA99 4.7 21.7 1.0 CG A:ASP96 4.7 24.6 1.0

Magnesium binding site 3 out of 6 in the Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:39.4 occ:0.75 O A:HOH794 2.1 43.4 1.0 O A:HOH568 2.1 34.4 1.0 O A:HOH793 2.1 57.9 1.0 O A:HOH795 2.1 58.5 1.0 O A:HOH559 2.1 30.1 1.0 O A:HOH522 2.2 40.3 1.0 OD2 A:ASP257 4.1 28.9 1.0 OE1 A:GLU261 4.3 26.3 1.0 CB A:ASP257 4.6 19.5 1.0 OE2 A:GLU261 4.7 32.9 1.0 CG A:ASP257 4.8 24.8 1.0 O A:HOH745 4.8 37.9 1.0 CD A:GLU261 4.9 26.9 1.0 O A:HOH623 5.0 39.0 1.0

Magnesium binding site 4 out of 6 in the Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:37.5 occ:0.64 O B:HOH760 2.0 40.3 1.0 O B:HOH487 2.1 27.4 1.0 O B:HOH575 2.1 35.4 1.0 O B:HOH711 2.1 39.1 1.0 O B:HOH787 2.1 47.6 1.0 O B:HOH759 2.1 52.6 1.0 OD1 B:ASP119 4.1 31.4 1.0 OD2 B:ASP119 4.2 28.3 1.0 O B:HOH563 4.3 41.3 1.0 O B:GLU117 4.3 21.7 1.0 O B:LYS116 4.3 21.6 1.0 CA B:GLU117 4.4 21.5 1.0 O B:HOH735 4.5 45.0 1.0 CG B:ASP119 4.6 29.0 1.0 C B:GLU117 4.7 17.5 1.0

Magnesium binding site 5 out of 6 in the Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:20.8 occ:0.76 O C:HOH616 2.0 25.1 1.0 O C:HOH529 2.0 25.1 1.0 OE1 C:GLU141 2.1 27.5 1.0 O C:HOH614 2.2 36.7 1.0 O C:HOH530 2.2 28.8 1.0 O C:HOH615 2.2 20.5 1.0 CD C:GLU141 3.2 25.5 1.0 CG C:GLU141 3.7 22.4 1.0 OE2 C:GLU141 4.3 27.6 1.0 O C:HOH489 4.4 33.0 1.0 O C:GLU135 4.4 33.0 1.0 CB C:GLU141 4.6 20.1 1.0

Magnesium binding site 6 out of 6 in the Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate- Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg301 b:20.7 occ:0.47 O D:HOH668 2.0 33.4 1.0 O D:HOH671 2.0 33.7 1.0 OE1 D:GLU141 2.1 31.8 1.0 O D:HOH672 2.2 49.5 1.0 O A:HOH788 2.3 33.9 1.0 O A:HOH789 2.3 21.3 1.0 CD D:GLU141 3.2 30.8 1.0 CG D:GLU141 3.7 28.0 1.0 O A:GLY144 3.9 22.7 1.0 O D:HOH418 4.0 28.8 1.0 OE2 D:GLU141 4.3 31.5 1.0 O D:GLU135 4.4 32.9 1.0 O A:LYS140 4.4 23.2 1.0 CB A:LYS140 4.6 24.0 1.0 CB D:GLU141 4.6 23.3 1.0

P.J.Stogios, Z.Wawrzak, M.Kudritska, G.Minasov, V.Yim, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of Phosphate Abc Transporter, Periplasmic Phosphate-Binding Protein Psts 1 (PBP1) From Streptococcus Pneumoniae Canada MDR_19A To Be Published.