Magnesium in PDB 6m48: Crystal Structure of Pilus Adhesin, Spac From Lactobacillus Rhamnosus Gg - P21212 Form

The structure of Crystal Structure of Pilus Adhesin, Spac From Lactobacillus Rhamnosus Gg - P21212 Form, PDB code: 6m48 was solved by A.Kant, A.Palva, I.Von Ossowaski, V.Krishnan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.26 / 2.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	116.181, 128.128, 136.358, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 23.5

The structure of Crystal Structure of Pilus Adhesin, Spac From Lactobacillus Rhamnosus Gg - P21212 Form also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Pilus Adhesin, Spac From Lactobacillus Rhamnosus Gg - P21212 Form (pdb code 6m48). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Pilus Adhesin, Spac From Lactobacillus Rhamnosus Gg - P21212 Form, PDB code: 6m48:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Pilus Adhesin, Spac From Lactobacillus Rhamnosus Gg - P21212 Form


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 Pilus Adhesin, Spac From Lactobacillus Rhamnosus Gg - P21212 Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg901 b:69.3 occ:1.00 OG A:SER147 2.1 67.4 1.0 OG1 A:THR229 2.1 52.1 1.0 O A:HOH1001 2.1 56.2 1.0 OG A:SER145 2.1 73.5 1.0 O B:HOH1008 2.2 52.4 1.0 CB A:SER147 2.6 82.1 1.0 CB A:SER145 3.0 63.1 1.0 C B:LEU857 3.3 86.3 1.0 CB A:THR229 3.5 48.7 1.0 O B:LEU857 3.8 86.9 1.0 CA A:SER147 3.9 86.9 1.0 OD2 A:ASP258 3.9 96.4 1.0 OD1 A:ASP258 3.9 84.6 1.0 CG2 A:THR229 3.9 47.8 1.0 OD2 A:ASP143 4.0 44.6 1.0 N A:SER147 4.0 81.6 1.0 OD1 A:ASP143 4.1 50.1 1.0 CG A:ASP258 4.3 90.8 1.0 CA A:SER145 4.4 56.2 1.0 CG A:ASP143 4.5 48.2 1.0 CA A:THR229 4.5 46.4 1.0 CA B:LEU857 4.5 89.5 1.0 O A:VAL260 4.6 53.5 1.0 N A:THR229 4.6 51.7 1.0 C A:SER147 4.7 81.9 1.0 C A:GLY228 4.7 54.3 1.0 C A:SER145 4.7 61.8 1.0 O A:GLY228 4.8 55.9 1.0 N A:MET148 4.8 81.9 1.0 O A:GLY227 4.9 54.4 1.0 N A:GLY146 4.9 71.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Pilus Adhesin, Spac From Lactobacillus Rhamnosus Gg - P21212 Form


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 Pilus Adhesin, Spac From Lactobacillus Rhamnosus Gg - P21212 Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg901 b:40.1 occ:1.00 OG B:SER147 2.0 47.4 1.0 OD1 B:ASP258 2.1 50.7 1.0 O B:HOH1006 2.1 43.8 1.0 OG B:SER145 2.1 48.1 1.0 O B:HOH1061 2.1 33.8 1.0 O B:HOH1067 2.1 36.4 1.0 CG B:ASP258 2.9 46.9 1.0 CB B:SER145 3.1 47.1 1.0 OD2 B:ASP258 3.2 47.2 1.0 CB B:SER147 3.3 46.6 1.0 OD2 B:ASP143 3.9 45.5 1.0 O B:HOH1084 3.9 38.3 1.0 O B:ASP258 4.0 45.7 1.0 OG1 B:THR229 4.0 45.0 1.0 OD1 B:ASP143 4.1 45.6 1.0 C B:ASP258 4.1 50.5 1.0 O B:HOH1123 4.1 49.4 1.0 CG B:ASP143 4.3 46.9 1.0 CB B:ASP258 4.3 44.7 1.0 CA B:SER147 4.4 47.0 1.0 N B:SER147 4.4 44.7 1.0 CA B:SER145 4.4 43.1 1.0 N B:GLY259 4.5 49.3 1.0 CA B:GLY259 4.5 49.1 1.0 C B:SER145 4.7 43.1 1.0 CA B:ASP258 4.7 47.0 1.0 O B:HOH1044 4.7 35.6 1.0 N B:MET148 4.8 44.0 1.0 C B:SER147 4.9 46.8 1.0 N B:ASP258 4.9 45.6 1.0 CG B:MET148 4.9 45.7 1.0 O B:SER145 4.9 38.5 1.0

A.Kant, A.Palva, I.Von Ossowski, V.Krishnan. Crystal Structure of Lactobacillar Spac Reveals An Atypical Five-Domain Pilus Tip Adhesin: Exposing Its Substrate-Binding and Assembly in Spacba Pili. J.Struct.Biol. V. 211 07571 2020.
ISSN: ESSN 1095-8657
PubMed: 32653644
DOI: 10.1016/J.JSB.2020.107571