Magnesium in PDB 3gie: Crystal Structure of DESKC_H188E in Complex with Amp-Pcp

All present enzymatic activity of Crystal Structure of DESKC_H188E in Complex with Amp-Pcp:
2.7.13.3;

The structure of Crystal Structure of DESKC_H188E in Complex with Amp-Pcp, PDB code: 3gie was solved by F.Trajtenberg, D.Albanesi, P.M.Alzari, A.Buschiazzo, D.De Mendoza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.16 / 2.65
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	99.890, 94.050, 44.620, 90.00, 90.02, 90.00
R / Rfree (%)	19.4 / 24.3

The binding sites of Magnesium atom in the Crystal Structure of DESKC_H188E in Complex with Amp-Pcp (pdb code 3gie). 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 DESKC_H188E in Complex with Amp-Pcp, PDB code: 3gie:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of DESKC_H188E in Complex with Amp-Pcp


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 DESKC_H188E in Complex with Amp-Pcp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1 b:0.4 occ:1.00 OE2 A:GLU289 2.0 0.5 1.0 O1A A:ACP1303 2.0 0.2 1.0 OD1 A:ASN293 2.0 0.4 1.0 O2B A:ACP1303 2.1 0.5 1.0 O3G A:ACP1303 2.1 0.6 1.0 CG A:ASN293 2.9 0.4 1.0 PB A:ACP1303 3.0 96.8 1.0 PG A:ACP1303 3.1 0.4 1.0 CD A:GLU289 3.2 0.8 1.0 PA A:ACP1303 3.2 0.1 1.0 C3B A:ACP1303 3.3 0.1 1.0 ND2 A:ASN293 3.3 0.7 1.0 O3A A:ACP1303 3.4 0.6 1.0 O1G A:ACP1303 3.4 0.7 1.0 CG A:GLU289 4.1 0.5 1.0 CG2 A:THR292 4.1 0.5 1.0 OE1 A:GLU289 4.1 0.5 1.0 O5' A:ACP1303 4.2 69.7 1.0 CB A:ASN293 4.2 80.0 1.0 O2A A:ACP1303 4.4 0.2 1.0 O2G A:ACP1303 4.4 0.3 1.0 O1B A:ACP1303 4.5 83.9 1.0 NE2 A:HIS297 4.5 0.5 1.0 CA A:GLY336 4.5 0.8 1.0 O A:GLU289 4.6 99.3 1.0 CA A:ASN293 4.6 86.2 1.0 N A:ASN293 4.9 99.5 1.0 CE1 A:HIS297 4.9 0.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of DESKC_H188E in Complex with Amp-Pcp


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 DESKC_H188E in Complex with Amp-Pcp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1 b:0.8 occ:1.00 OE2 B:GLU289 2.0 0.6 1.0 O3G B:ACP1303 2.0 0.6 1.0 O2B B:ACP1303 2.1 0.7 1.0 O1A B:ACP1303 2.1 41.5 1.0 OD1 B:ASN293 2.1 0.2 1.0 ND2 B:ASN293 2.4 0.8 1.0 CG B:ASN293 2.5 0.6 1.0 CD B:GLU289 3.0 0.8 1.0 PG B:ACP1303 3.2 0.3 1.0 PB B:ACP1303 3.2 0.9 1.0 CG B:GLU289 3.4 1.0 1.0 PA B:ACP1303 3.4 80.6 1.0 C3B B:ACP1303 3.6 52.0 1.0 O2G B:ACP1303 3.7 0.4 1.0 O3A B:ACP1303 3.7 0.2 1.0 CB B:ASN293 3.9 82.6 1.0 CA B:GLY336 4.0 0.6 1.0 O B:GLU289 4.1 94.1 1.0 OE1 B:GLU289 4.1 0.0 1.0 N B:LEU337 4.3 0.4 1.0 O5' B:ACP1303 4.3 0.1 1.0 C B:GLY336 4.4 0.4 1.0 O1G B:ACP1303 4.5 0.3 1.0 CG2 B:THR292 4.5 0.8 1.0 O2A B:ACP1303 4.6 63.1 1.0 O1B B:ACP1303 4.6 98.2 1.0 CA B:ASN293 4.7 90.0 1.0 CB B:GLU289 4.8 0.6 1.0 N B:GLY336 5.0 0.1 1.0 C B:GLU289 5.0 0.8 1.0

D.Albanesi, M.Martin, F.Trajtenberg, M.C.Mansilla, A.Haouz, P.M.Alzari, D.De Mendoza, A.Buschiazzo. Structural Plasticity and Catalysis Regulation of A Thermosensor Histidine Kinase Proc.Natl.Acad.Sci.Usa V. 106 16185 2009.
ISSN: ISSN 0027-8424
PubMed: 19805278
DOI: 10.1073/PNAS.0906699106