Magnesium in PDB 3gig: Crystal Structure of Phosphorylated Deskc in Complex with Amp-Pcp

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

The structure of Crystal Structure of Phosphorylated Deskc in Complex with Amp-Pcp, PDB code: 3gig 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)	28.85 / 3.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	94.630, 94.630, 162.460, 90.00, 90.00, 120.00
R / Rfree (%)	28.7 / 33.5

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

Magnesium binding site 1 out of 2 in the Crystal Structure of Phosphorylated Deskc 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 Phosphorylated Deskc in Complex with Amp-Pcp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1 b:0.6 occ:1.00 OD1 A:ASN293 2.0 0.7 1.0 O1A A:ACP1303 2.1 0.2 1.0 O3G A:ACP1303 2.1 0.3 1.0 O2B A:ACP1303 2.1 0.5 1.0 OE2 A:GLU289 2.1 0.2 1.0 PG A:ACP1303 2.8 0.5 1.0 PB A:ACP1303 2.8 0.7 1.0 O3A A:ACP1303 2.8 0.3 1.0 CG A:ASN293 2.9 0.1 1.0 O1G A:ACP1303 2.9 0.5 1.0 PA A:ACP1303 3.0 0.1 1.0 ND2 A:ASN293 3.1 0.8 1.0 CD A:GLU289 3.2 0.4 1.0 C3B A:ACP1303 3.3 0.5 1.0 OE1 A:GLU289 3.7 0.6 1.0 N A:GLY336 3.8 0.0 1.0 O5' A:ACP1303 4.1 0.2 1.0 O2A A:ACP1303 4.1 0.7 1.0 CA A:GLY336 4.1 0.3 1.0 O2G A:ACP1303 4.2 0.2 1.0 O1B A:ACP1303 4.3 0.3 1.0 CB A:ASN293 4.3 0.5 1.0 CG A:GLU289 4.3 0.4 1.0 O A:GLU289 4.6 0.6 1.0 C A:GLY336 4.7 0.2 1.0 CA A:ASN293 4.8 0.3 1.0 N A:LEU337 4.8 0.0 1.0 C A:HIS335 4.8 0.9 1.0 CG A:LEU337 4.9 0.7 1.0 NE2 A:HIS297 5.0 0.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Phosphorylated Deskc 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 Phosphorylated Deskc in Complex with Amp-Pcp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1 b:1.0 occ:1.00 O2B B:ACP1303 2.0 0.7 1.0 O1A B:ACP1303 2.0 0.8 1.0 O3G B:ACP1303 2.0 0.3 1.0 OE2 B:GLU289 2.0 0.2 1.0 OD1 B:ASN293 2.1 0.8 1.0 CD B:GLU289 3.0 0.7 1.0 PB B:ACP1303 3.1 0.8 1.0 PA B:ACP1303 3.2 0.8 1.0 CG B:ASN293 3.2 0.1 1.0 O3A B:ACP1303 3.3 0.5 1.0 OE1 B:GLU289 3.3 0.8 1.0 PG B:ACP1303 3.4 0.8 1.0 ND2 B:ASN293 3.7 0.2 1.0 C3B B:ACP1303 3.8 0.3 1.0 O2G B:ACP1303 4.1 0.2 1.0 N B:GLY336 4.2 0.8 1.0 O2A B:ACP1303 4.3 0.7 1.0 O5' B:ACP1303 4.3 0.8 1.0 CG B:GLU289 4.4 0.9 1.0 CA B:GLY336 4.5 0.6 1.0 O1B B:ACP1303 4.5 0.2 1.0 CB B:ASN293 4.5 0.6 1.0 O B:GLU289 4.5 1.0 1.0 O1G B:ACP1303 4.6 0.9 1.0 CA B:ASN293 4.8 0.6 1.0 N B:ASN293 4.9 0.5 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