Magnesium in PDB 3hws: Crystal Structure of Nucleotide-Bound Hexameric Clpx

The structure of Crystal Structure of Nucleotide-Bound Hexameric Clpx, PDB code: 3hws was solved by S.E.Glynn, A.Martin, T.A.Baker, R.T.Sauer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.08 / 3.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.085, 178.498, 201.369, 90.00, 90.00, 90.00
R / Rfree (%)	24.3 / 28.2

The binding sites of Magnesium atom in the Crystal Structure of Nucleotide-Bound Hexameric Clpx (pdb code 3hws). 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 Nucleotide-Bound Hexameric Clpx, PDB code: 3hws:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Nucleotide-Bound Hexameric Clpx


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 Nucleotide-Bound Hexameric Clpx within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg901 b:0.1 occ:1.00 O4 B:SO4708 3.2 0.2 1.0 O1 B:SO4708 3.5 0.2 1.0 O3' B:ADP601 3.6 0.0 1.0 O B:ARG370 3.8 0.9 1.0 O B:ALA369 3.8 84.7 1.0 S B:SO4708 3.8 0.2 1.0 C4' B:ADP601 4.0 0.0 0.3 O3 B:SO4708 4.2 0.2 1.0 CA B:ARG370 4.2 0.9 1.0 CB B:ARG373 4.2 0.8 1.0 C3' B:ADP601 4.3 0.7 1.0 O4' B:ADP601 4.3 0.1 1.0 C B:ARG370 4.4 0.2 1.0 O2' B:ADP601 4.6 0.1 0.0 C B:ALA369 4.6 90.7 1.0 N B:ARG373 4.8 0.1 1.0 C2' B:ADP601 4.8 0.6 1.0 C1' B:ADP601 4.8 0.3 1.0 N B:ARG370 4.8 0.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Nucleotide-Bound Hexameric Clpx


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 Nucleotide-Bound Hexameric Clpx within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg900 b:0.5 occ:1.00 OD1 D:ASP294 2.9 0.5 1.0 OD2 D:ASP294 3.2 0.3 1.0 CG D:ASP294 3.4 0.3 1.0 CG2 D:VAL262 3.7 0.1 1.0 CB D:ARG261 4.0 0.3 1.0 O D:GLN289 4.1 0.0 1.0 CB D:GLU291 4.2 0.5 1.0 O C:ARG365 4.5 0.4 1.0 N D:GLU291 4.8 0.0 1.0 O D:ILE258 4.8 0.9 1.0 N D:VAL262 4.8 0.6 1.0 CG2 C:THR367 4.9 0.2 1.0 CB D:ASP294 4.9 1.0 1.0

S.E.Glynn, A.Martin, A.R.Nager, T.A.Baker, R.T.Sauer. Structures of Asymmetric Clpx Hexamers Reveal Nucleotide-Dependent Motions in A Aaa+ Protein-Unfolding Machine. Cell(Cambridge,Mass.) V. 139 744 2009.
ISSN: ISSN 0092-8674
PubMed: 19914167
DOI: 10.1016/J.CELL.2009.09.034