Magnesium in PDB 7r1m: Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein

The structure of Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein, PDB code: 7r1m was solved by P.Brear, S.Schack, G.Christie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.39 / 1.64
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	95.298, 95.298, 117.183, 90, 90, 90
R / Rfree (%)	20.9 / 23.5

The structure of Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein also contains other interesting chemical elements:

Gold	(Au)	13 atoms
Calcium	(Ca)	1 atom

The binding sites of Magnesium atom in the Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein (pdb code 7r1m). 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 Exsfa, A Bacillus Cereus Spore Exosporium Protein, PDB code: 7r1m:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein


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 Exsfa, A Bacillus Cereus Spore Exosporium Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg206 b:51.7 occ:1.00 OD1 A:ASP89 1.8 53.2 1.0 O A:HOH323 1.8 48.8 1.0 O A:HOH304 1.9 51.4 1.0 O A:VAL91 2.2 51.1 1.0 O A:HOH346 2.2 47.0 1.0 OE1 A:GLU96 2.3 54.2 1.0 CG A:ASP89 2.6 63.5 1.0 OD2 A:ASP89 2.9 63.9 1.0 CD A:GLU96 3.1 45.9 1.0 OE2 A:GLU96 3.3 50.2 1.0 C A:VAL91 3.3 58.6 1.0 N A:VAL91 3.5 60.8 1.0 CA A:VAL91 3.9 59.3 1.0 CB A:ASP89 4.0 59.9 1.0 N A:ASP89 4.2 58.1 1.0 N A:ASN90 4.2 61.8 1.0 O A:THR155 4.3 34.6 1.0 N A:PRO92 4.4 63.2 1.0 CB A:VAL91 4.4 30.0 1.0 CA A:ASP89 4.4 62.4 1.0 C A:ASP89 4.5 61.6 1.0 O A:HOH309 4.5 40.3 1.0 O A:HOH313 4.5 40.9 1.0 O A:SER87 4.5 37.8 1.0 CG A:GLU96 4.5 49.4 1.0 C A:ASN90 4.7 70.4 1.0 CD A:PRO92 4.7 63.1 1.0 CA A:ASN90 5.0 69.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein


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 Exsfa, A Bacillus Cereus Spore Exosporium Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg207 b:32.4 occ:1.00 OD1 B:ASP89 1.9 34.4 1.0 O B:HOH317 2.0 32.8 1.0 O B:VAL91 2.1 35.9 1.0 OE2 B:GLU96 2.1 31.1 1.0 O B:HOH355 2.1 35.7 1.0 O B:HOH302 2.2 31.0 1.0 CG B:ASP89 2.9 38.7 1.0 CD B:GLU96 3.1 33.9 1.0 OD2 B:ASP89 3.2 41.1 1.0 C B:VAL91 3.3 34.4 1.0 OE1 B:GLU96 3.4 34.9 1.0 N B:VAL91 3.8 32.9 1.0 CG2 B:VAL91 4.0 39.7 1.0 O B:HOH331 4.1 45.7 1.0 CA B:VAL91 4.1 33.1 1.0 O B:HOH341 4.1 27.8 1.0 O B:THR155 4.2 35.2 1.0 N B:PRO92 4.2 36.5 1.0 CB B:ASP89 4.2 36.0 1.0 N B:ASP89 4.2 31.4 1.0 O B:HOH404 4.3 48.8 1.0 O B:HOH397 4.3 55.9 1.0 CD B:PRO92 4.3 35.6 1.0 N B:ASN90 4.4 32.7 1.0 O B:HOH314 4.4 30.5 1.0 CG B:GLU96 4.4 31.8 1.0 CA B:ASP89 4.6 35.8 1.0 C B:ASP89 4.6 34.9 1.0 CB B:VAL91 4.7 36.0 1.0 O B:SER87 4.9 32.0 1.0 C B:ASN90 4.9 37.6 1.0

P.Brear, S.Schack, G.Christie. Crystal Structure of Exsfa, A Bacillus Cereus Spore Exosporium Protein" To Be Published.