Magnesium in PDB 5m7n: Crystal Structure of Ntrx From Brucella Abortus in Complex with Atp Processed with the Crystaldirect Automated Mounting and Cryo-Cooling Technology

The structure of Crystal Structure of Ntrx From Brucella Abortus in Complex with Atp Processed with the Crystaldirect Automated Mounting and Cryo-Cooling Technology, PDB code: 5m7n was solved by I.Cornaciu, I.Fernandez, G.Hoffmann, M.C.Carrica, F.A.Goldbaum, J.A.Marquez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.84 / 2.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	116.867, 191.611, 111.702, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 23.8

The binding sites of Magnesium atom in the Crystal Structure of Ntrx From Brucella Abortus in Complex with Atp Processed with the Crystaldirect Automated Mounting and Cryo-Cooling Technology (pdb code 5m7n). 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 Ntrx From Brucella Abortus in Complex with Atp Processed with the Crystaldirect Automated Mounting and Cryo-Cooling Technology, PDB code: 5m7n:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Ntrx From Brucella Abortus in Complex with Atp Processed with the Crystaldirect Automated Mounting and Cryo-Cooling Technology


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 Ntrx From Brucella Abortus in Complex with Atp Processed with the Crystaldirect Automated Mounting and Cryo-Cooling Technology within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:63.4 occ:1.00 OD1 A:ASP10 2.1 82.6 1.0 OD1 A:ASP9 2.4 72.8 1.0 O A:HOH643 2.8 67.7 1.0 OD2 A:ASP53 3.2 86.0 1.0 CG A:ASP10 3.2 79.2 1.0 CG A:ASP9 3.4 73.0 1.0 CG A:ASP53 3.5 82.5 1.0 OD1 A:ASP53 3.5 84.5 1.0 OD2 A:ASP10 3.8 77.4 1.0 OD2 A:ASP9 3.8 76.1 1.0 N A:GLU11 3.9 69.8 1.0 CB A:GLU11 4.0 71.0 1.0 N A:ASP10 4.0 67.7 1.0 CB A:ASP10 4.4 68.4 1.0 CA A:ASP10 4.5 67.5 1.0 CB A:ASP53 4.5 67.6 1.0 C A:ASP10 4.5 73.6 1.0 CA A:GLU11 4.6 69.6 1.0 CB A:ASP9 4.8 65.1 1.0 C A:ASP9 5.0 70.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Ntrx From Brucella Abortus in Complex with Atp Processed with the Crystaldirect Automated Mounting and Cryo-Cooling Technology


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 Ntrx From Brucella Abortus in Complex with Atp Processed with the Crystaldirect Automated Mounting and Cryo-Cooling Technology within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:74.4 occ:1.00 OD2 B:ASP53 2.4 0.7 1.0 OD1 B:ASP9 2.4 90.8 1.0 CG B:ASP53 2.8 94.8 1.0 NZ B:LYS105 2.8 79.5 1.0 CG B:ASP9 3.1 88.4 1.0 OD2 B:ASP9 3.1 92.2 1.0 OD1 B:ASP53 3.3 96.4 1.0 OD1 B:ASP10 3.3 92.8 1.0 CB B:ASP53 3.7 81.3 1.0 OE2 B:GLU11 3.9 0.2 1.0 CD B:GLU11 4.0 0.8 1.0 OE1 B:GLU11 4.2 98.2 1.0 CE B:LYS105 4.2 67.3 1.0 CG B:ASP10 4.3 93.1 1.0 CB B:ASP9 4.4 75.8 1.0 CG2 B:ILE82 4.5 82.1 1.0 CG B:GLU11 4.5 92.0 1.0 OD2 B:ASP10 4.6 0.7 1.0 CG1 B:ILE14 4.7 77.0 1.0 N B:ASP10 4.8 78.7 1.0 CB B:GLU11 4.8 80.9 1.0 CA B:ASP53 4.9 79.2 1.0 N B:GLU11 4.9 79.5 1.0 CB B:ILE14 4.9 77.0 1.0 O B:TRP55 4.9 92.0 1.0 CG2 B:ILE14 5.0 77.6 1.0

I.Fernandez, I.Cornaciu, M.D.Carrica, E.Uchikawa, G.Hoffmann, R.Sieira, J.A.Marquez, F.A.Goldbaum. Three-Dimensional Structure of Full-Length Ntrx, An Unusual Member of the Ntrc Family of Response Regulators. J. Mol. Biol. V. 429 1192 2017.
ISSN: ESSN 1089-8638
PubMed: 28088479
DOI: 10.1016/J.JMB.2016.12.022