Magnesium in PDB 1moj: Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum

The structure of Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum, PDB code: 1moj was solved by K.Zeth, S.Offermann, L.O.Essen, D.Oesterhelt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.88 / 1.90
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.747, 90.747, 149.410, 90.00, 90.00, 120.00
R / Rfree (%)	14.7 / 18.2

The structure of Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum also contains other interesting chemical elements:

Iron	(Fe)	6 atoms
Sodium	(Na)	2 atoms

The binding sites of Magnesium atom in the Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum (pdb code 1moj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum, PDB code: 1moj:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum


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 An Archaeal Dps-Homologue From Halobacterium Salinarum within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg309 b:34.2 occ:1.00 O B:HOH386 2.1 33.5 1.0 O B:HOH387 2.4 24.3 1.0 O B:HOH385 2.6 35.6 1.0 NE2 B:HIS168 2.7 21.9 1.0 CD2 B:HIS168 3.7 20.9 1.0 CE1 B:HIS168 3.7 20.8 1.0 NE2 B:HIS164 4.7 20.1 1.0 ND1 B:HIS168 4.8 18.7 1.0 CG B:HIS168 4.8 18.8 1.0 OE2 B:GLU171 4.9 21.2 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum


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 An Archaeal Dps-Homologue From Halobacterium Salinarum within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg308 b:51.8 occ:1.00 O A:HOH374 2.1 45.8 1.0 OE1 C:GLN86 2.3 29.2 1.0 O C:HOH383 2.4 29.4 1.0 O A:HOH373 2.5 43.3 1.0 NE2 A:HIS168 2.7 23.0 1.0 OE1 D:GLU56 2.7 23.0 1.0 CD C:GLN86 2.9 26.2 1.0 NE2 C:GLN86 3.0 25.7 1.0 O C:GLN86 3.3 19.1 1.0 CD2 A:HIS168 3.6 19.5 1.0 CE1 A:HIS168 3.7 23.6 1.0 CD D:GLU56 3.9 21.6 1.0 C C:GLN86 4.2 17.8 1.0 CG C:GLN86 4.3 24.9 1.0 NE2 A:HIS164 4.4 23.5 1.0 CG D:GLU56 4.5 18.1 1.0 OE1 A:GLU167 4.6 33.6 1.0 CG A:HIS168 4.8 19.0 1.0 ND1 A:HIS168 4.8 20.5 1.0 OE2 D:GLU56 4.8 21.4 1.0 CD2 A:HIS164 4.9 22.0 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg310 b:53.8 occ:1.00 O C:HOH348 1.9 26.6 1.0 O C:HOH378 2.2 25.9 1.0 NE2 C:HIS168 2.2 21.9 1.0 O C:HOH379 2.7 28.5 1.0 CD2 C:HIS168 2.9 19.8 1.0 CE1 C:HIS168 3.4 21.6 1.0 O C:HOH380 4.1 33.1 1.0 CG C:HIS168 4.1 18.3 1.0 ND1 C:HIS168 4.3 19.7 1.0 OE2 C:GLU171 4.4 21.8 1.0 NE2 C:HIS164 4.5 21.9 1.0 OE1 C:GLU167 4.5 31.8 1.0 CG C:GLU171 4.9 18.5 1.0 CD2 C:HIS164 5.0 20.5 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of An Archaeal Dps-Homologue From Halobacterium Salinarum within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg307 b:38.0 occ:1.00 O D:HOH363 1.9 45.3 1.0 O D:HOH379 2.2 17.6 1.0 NE2 D:HIS168 2.4 18.5 1.0 O D:HOH362 2.6 30.0 1.0 CD2 D:HIS168 3.0 15.8 1.0 CE1 D:HIS168 3.5 18.9 1.0 O D:HOH378 3.9 24.5 1.0 CG D:HIS168 4.2 15.7 1.0 OE2 D:GLU171 4.3 24.5 1.0 ND1 D:HIS168 4.4 18.1 1.0 OE1 D:GLU167 4.6 26.1 1.0 NE2 D:HIS164 4.7 21.4 1.0 CG D:GLU171 4.8 20.0 1.0 CD D:GLU171 4.9 22.1 1.0

K.Zeth, S.Offermann, L.O.Essen, D.Oesterhelt. Iron-Oxo Clusters Biomineralizing on Protein Surfaces: Structural Analysis of Halobacterium Salinarum Dpsa in Its Low- and High-Iron States. Proc.Natl.Acad.Sci.Usa V. 101 13780 2004.
ISSN: ISSN 0027-8424
PubMed: 15365182
DOI: 10.1073/PNAS.0401821101