Magnesium in PDB 3n8b: Crystal Structure of Borrelia Burgdorferi Pur-Alpha

The structure of Crystal Structure of Borrelia Burgdorferi Pur-Alpha, PDB code: 3n8b was solved by A.Graebsch, S.Roche, D.Kostrewa, D.Niessing, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.39 / 1.90
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.710, 58.330, 141.840, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 23.2

The binding sites of Magnesium atom in the Crystal Structure of Borrelia Burgdorferi Pur-Alpha (pdb code 3n8b). 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 Borrelia Burgdorferi Pur-Alpha, PDB code: 3n8b:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Borrelia Burgdorferi Pur-Alpha


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 Borrelia Burgdorferi Pur-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg108 b:16.3 occ:0.50 O A:THR19 2.3 12.6 1.0 O A:SER21 2.4 14.5 1.0 O A:HOH2 2.6 10.9 1.0 C A:THR19 3.4 14.0 1.0 C A:SER21 3.5 14.9 1.0 N A:SER21 3.9 16.2 1.0 C A:GLU20 3.9 16.9 1.0 CA A:GLU20 4.1 16.7 1.0 N A:GLU20 4.2 14.9 1.0 N A:THR19 4.2 13.2 1.0 CA A:SER21 4.3 14.6 1.0 O A:GLU20 4.3 17.8 1.0 CA A:THR19 4.4 13.3 1.0 OG1 A:THR19 4.5 13.8 1.0 N A:GLU22 4.5 15.0 1.0 CA A:GLU22 4.7 16.4 1.0 O A:ARG23 4.8 13.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Borrelia Burgdorferi Pur-Alpha


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 Borrelia Burgdorferi Pur-Alpha within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg106 b:30.0 occ:0.50 O B:SER21 2.4 14.6 1.0 O B:THR19 2.5 12.5 1.0 O B:HOH112 2.6 16.9 1.0 C B:SER21 3.5 14.3 1.0 C B:THR19 3.6 12.2 1.0 N B:SER21 4.0 14.2 1.0 C B:GLU20 4.1 14.8 1.0 N B:THR19 4.2 13.3 1.0 CA B:SER21 4.3 13.4 1.0 CA B:GLU20 4.4 14.7 1.0 N B:GLU22 4.4 13.5 1.0 N B:GLU20 4.4 12.3 1.0 CA B:GLU22 4.5 14.2 1.0 O B:GLU20 4.5 13.0 1.0 CA B:THR19 4.5 12.5 1.0 OG1 B:THR19 4.6 13.8 1.0 O B:ARG23 4.7 14.4 1.0 OG1 B:THR24 4.9 14.4 1.0 CB B:PHE18 5.0 16.2 1.0 CD1 B:PHE18 5.0 18.6 1.0

A.Graebsch, S.Roche, D.Kostrewa, J.Soding, D.Niessing. Of Bits and Bugs--on the Use of Bioinformatics and A Bacterial Crystal Structure to Solve A Eukaryotic Repeat-Protein Structure. Plos One V. 5 13402 2010.
ISSN: ESSN 1932-6203
PubMed: 20976240
DOI: 10.1371/JOURNAL.PONE.0013402