Magnesium in PDB 2a9k: Crystal Structure of the C3BOT-Nad-Rala Complex Reveals A Novel Type of Action of A Bacterial Exoenzyme

The structure of Crystal Structure of the C3BOT-Nad-Rala Complex Reveals A Novel Type of Action of A Bacterial Exoenzyme, PDB code: 2a9k was solved by A.Pautsch, M.Vogelsgesang, J.Trankle, C.Herrmann, K.Aktories, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.03 / 1.73
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.260, 113.850, 56.310, 90.00, 106.40, 90.00
R / Rfree (%)	18.6 / 22.5

The binding sites of Magnesium atom in the Crystal Structure of the C3BOT-Nad-Rala Complex Reveals A Novel Type of Action of A Bacterial Exoenzyme (pdb code 2a9k). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of the C3BOT-Nad-Rala Complex Reveals A Novel Type of Action of A Bacterial Exoenzyme, PDB code: 2a9k:

Magnesium binding site 1 out of 1 in the Crystal Structure of the C3BOT-Nad-Rala Complex Reveals A Novel Type of Action of A Bacterial Exoenzyme


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 the C3BOT-Nad-Rala Complex Reveals A Novel Type of Action of A Bacterial Exoenzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg300 b:13.0 occ:1.00 O A:HOH526 2.0 8.2 1.0 O A:HOH519 2.0 14.4 1.0 O A:HOH508 2.0 17.2 1.0 O A:HOH593 2.0 16.9 1.0 O3B A:GDP500 2.1 13.2 1.0 OG A:SER28 2.2 14.2 1.0 CB A:SER28 3.2 14.2 1.0 PB A:GDP500 3.3 13.3 1.0 O1B A:GDP500 3.4 12.6 1.0 N A:SER28 4.0 14.7 1.0 O2A A:GDP500 4.0 16.6 1.0 O A:PRO45 4.1 18.1 1.0 CA A:SER28 4.1 14.7 1.0 OD2 A:ASP68 4.2 18.2 1.0 OD1 A:ASP68 4.2 15.1 1.0 CD2 A:TYR43 4.2 20.8 1.0 O2B A:GDP500 4.3 12.8 1.0 O3A A:GDP500 4.4 12.9 1.0 O A:GLU44 4.4 18.7 1.0 O A:LYS47 4.4 19.3 1.0 O A:THR69 4.5 14.8 1.0 PA A:GDP500 4.5 14.4 1.0 O A:HOH506 4.5 14.4 1.0 CG A:ASP68 4.6 16.2 1.0 CA A:PRO45 4.7 18.3 1.0 CE2 A:TYR43 4.8 21.0 1.0 C A:PRO45 4.8 18.1 1.0 O1A A:GDP500 4.8 15.5 1.0 O A:TYR43 4.9 20.6 1.0 CB A:LYS27 5.0 14.7 1.0

A.Pautsch, M.Vogelsgesang, J.Trankle, C.Herrmann, K.Aktories. Crystal Structure of the C3BOT-Rala Complex Reveals A Novel Type of Action of A Bacterial Exoenzyme. Embo J. V. 24 3670 2005.
ISSN: ISSN 0261-4189
PubMed: 16177825
DOI: 10.1038/SJ.EMBOJ.7600813