Magnesium in PDB 7cbs: Crystal Structure of Spab Basal Pilin From Lactobacillus Rhamnosus Gg

The structure of Crystal Structure of Spab Basal Pilin From Lactobacillus Rhamnosus Gg, PDB code: 7cbs was solved by A.K.Megta, S.Pratap, A.Kant, V.Krishnan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.59 / 2.39
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	51.526, 51.526, 408.208, 90, 90, 120
R / Rfree (%)	19 / 22.8

The structure of Crystal Structure of Spab Basal Pilin From Lactobacillus Rhamnosus Gg also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Magnesium atom in the Crystal Structure of Spab Basal Pilin From Lactobacillus Rhamnosus Gg (pdb code 7cbs). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Spab Basal Pilin From Lactobacillus Rhamnosus Gg, PDB code: 7cbs:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Spab Basal Pilin From Lactobacillus Rhamnosus Gg


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 Spab Basal Pilin From Lactobacillus Rhamnosus Gg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:27.6 occ:1.00 OD1 E:ASP132 2.0 68.3 1.0 OD1 A:ASP132 2.0 74.8 1.0 OG1 A:THR37 2.0 74.1 1.0 O A:HOH303 2.1 29.2 1.0 O E:HOH201 2.1 24.0 1.0 O A:HOH307 2.1 27.3 1.0 CB A:THR37 3.1 71.1 1.0 CG E:ASP132 3.1 68.2 1.0 CG A:ASP132 3.1 73.5 1.0 OD2 E:ASP132 3.6 67.8 1.0 CA A:ASP132 3.7 66.2 1.0 OG1 E:THR37 3.7 56.2 1.0 CB A:ASP132 3.8 68.5 1.0 CG2 A:THR37 3.9 72.5 1.0 C A:THR37 4.1 68.6 1.0 OD2 A:ASP132 4.1 74.8 1.0 N A:ASP132 4.1 64.5 1.0 CA A:THR37 4.2 69.8 1.0 OD1 A:ASP39 4.2 71.3 1.0 OD1 E:ASP39 4.2 61.3 1.0 O A:THR37 4.2 65.6 1.0 CB E:ASP132 4.3 62.8 1.0 N A:VAL38 4.5 66.0 1.0 CA E:ASP132 4.6 61.6 1.0 O A:HOH302 4.6 13.8 1.0 N E:ASP132 4.7 62.4 1.0 N A:THR37 4.8 72.8 1.0 CB E:THR37 4.9 53.1 1.0 OD2 E:ASP39 4.9 68.5 1.0 C A:ASP132 4.9 63.1 1.0 CG E:ASP39 4.9 63.3 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Spab Basal Pilin From Lactobacillus Rhamnosus Gg


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 Spab Basal Pilin From Lactobacillus Rhamnosus Gg within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg201 b:29.9 occ:1.00 OD1 C:ASP132 2.0 59.4 1.0 OG1 C:THR37 2.0 62.2 1.0 OD1 G:ASP132 2.0 67.9 1.0 O C:HOH305 2.1 42.7 1.0 O C:HOH301 2.1 24.7 1.0 O G:HOH204 2.1 36.9 1.0 CB C:THR37 3.0 59.4 1.0 CG G:ASP132 3.0 67.7 1.0 CG C:ASP132 3.1 58.3 1.0 OD2 G:ASP132 3.5 70.3 1.0 OG1 G:THR37 3.6 55.0 1.0 CA C:ASP132 3.6 53.2 1.0 CB C:ASP132 3.8 55.1 1.0 CG2 C:THR37 3.8 60.3 1.0 C C:THR37 4.1 56.6 1.0 N C:ASP132 4.1 53.4 1.0 OD2 C:ASP132 4.1 59.0 1.0 OD1 C:ASP39 4.1 54.1 1.0 CA C:THR37 4.2 57.5 1.0 O C:THR37 4.3 56.0 1.0 CB G:ASP132 4.3 63.6 1.0 N C:VAL38 4.5 53.1 1.0 CA G:ASP132 4.6 62.8 1.0 OD1 G:ASP39 4.7 63.3 1.0 CB G:THR37 4.7 53.0 1.0 N C:THR37 4.9 59.3 1.0 C C:ASP132 4.9 49.3 1.0 N G:ASP132 4.9 65.9 1.0 O G:HOH203 5.0 32.1 1.0 C C:VAL38 5.0 53.8 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Spab Basal Pilin From Lactobacillus Rhamnosus Gg


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 Spab Basal Pilin From Lactobacillus Rhamnosus Gg within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg201 b:33.8 occ:1.00 OD1 D:ASP132 2.0 80.0 1.0 OD1 F:ASP132 2.0 64.7 1.0 OG1 F:THR37 2.0 60.2 1.0 O F:HOH305 2.1 27.4 1.0 O F:HOH304 2.1 34.5 1.0 O D:HOH301 2.1 34.5 1.0 CG D:ASP132 3.0 76.6 1.0 CG F:ASP132 3.1 63.6 1.0 CB F:THR37 3.1 55.0 1.0 CA F:ASP132 3.4 58.9 1.0 OD2 D:ASP132 3.5 75.5 1.0 CB F:ASP132 3.7 59.7 1.0 OG1 D:THR37 3.8 64.5 1.0 N F:ASP132 3.9 61.8 1.0 CG2 F:THR37 4.0 55.2 1.0 OD1 F:ASP39 4.0 60.6 1.0 C F:THR37 4.0 53.4 1.0 OD2 F:ASP132 4.2 63.2 1.0 N F:VAL38 4.2 52.6 1.0 CA F:THR37 4.2 52.9 1.0 O F:THR37 4.3 54.2 1.0 CB D:ASP132 4.3 70.9 1.0 OD1 D:ASP39 4.5 57.6 1.0 C F:ASP132 4.5 54.4 1.0 CA D:ASP132 4.6 68.7 1.0 CA F:VAL38 4.7 52.9 1.0 C F:VAL38 4.7 54.5 1.0 N D:ASP132 4.8 65.8 1.0 CG F:ASP39 4.9 63.0 1.0 CB D:THR37 4.9 59.8 1.0 O F:VAL38 5.0 53.6 1.0 O D:HOH304 5.0 60.8 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Spab Basal Pilin From Lactobacillus Rhamnosus Gg


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 Spab Basal Pilin From Lactobacillus Rhamnosus Gg within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg201 b:41.4 occ:1.00 OD1 B:ASP132 2.0 70.2 1.0 OD1 L:ASP132 2.0 80.0 1.0 OG1 L:THR37 2.0 73.6 1.0 O L:HOH301 2.1 36.2 1.0 O L:HOH303 2.1 29.8 1.0 O B:HOH305 2.1 43.9 1.0 CB L:THR37 3.0 65.9 1.0 CG B:ASP132 3.0 65.5 1.0 CG L:ASP132 3.1 77.0 1.0 OD2 B:ASP132 3.5 65.5 1.0 CA L:ASP132 3.6 69.7 1.0 OG1 B:THR37 3.6 59.6 1.0 CB L:ASP132 3.8 70.5 1.0 CG2 L:THR37 3.9 65.3 1.0 C L:THR37 4.0 64.5 1.0 N L:ASP132 4.1 70.5 1.0 CA L:THR37 4.1 66.0 1.0 OD1 L:ASP39 4.1 73.1 1.0 OD2 L:ASP132 4.1 72.1 1.0 O L:THR37 4.2 66.9 1.0 O L:HOH304 4.2 35.4 1.0 CB B:ASP132 4.3 60.1 1.0 N L:VAL38 4.4 62.5 1.0 OD1 B:ASP39 4.5 48.4 1.0 CA B:ASP132 4.6 57.4 1.0 CB B:THR37 4.8 54.9 1.0 N B:ASP132 4.8 55.8 1.0 C L:ASP132 4.8 65.3 1.0 N L:THR37 4.8 67.8 1.0 C L:VAL38 4.9 64.2 1.0 CA L:VAL38 4.9 62.6 1.0 O L:VAL38 5.0 64.3 1.0

A.K.Megta, S.Pratap, A.Kant, A.Palva, I.Von Ossowski, V.Krishnan. Crystal Structure of the Atypically Adhesive Spab Basal Pilus Subunit: Mechanistic Insights About Its Incorporation in Lactobacillar Spacba Pili. Curr Res Struct Biol V. 2 229 2020.
ISSN: ESSN 2665-928X
DOI: 10.1016/J.CRSTBI.2020.11.001