Magnesium in PDB 3tho: Crystal Structure of MRE11:RAD50 in Its Atp/Adp Bound State

The structure of Crystal Structure of MRE11:RAD50 in Its Atp/Adp Bound State, PDB code: 3tho was solved by C.Moeckel, K.Lammens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.12 / 2.61
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	121.772, 121.772, 135.126, 90.00, 90.00, 120.00
R / Rfree (%)	20.4 / 24.2

The structure of Crystal Structure of MRE11:RAD50 in Its Atp/Adp Bound State also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of MRE11:RAD50 in Its Atp/Adp Bound State (pdb code 3tho). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of MRE11:RAD50 in Its Atp/Adp Bound State, PDB code: 3tho:

Magnesium binding site 1 out of 1 in the Crystal Structure of MRE11:RAD50 in Its Atp/Adp Bound State


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 MRE11:RAD50 in Its Atp/Adp Bound State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg853 b:56.2 occ:1.00 OE1 A:GLU798 2.8 52.7 1.0 O2A A:ADP1452 2.8 42.9 1.0 O A:HOH876 3.0 57.9 1.0 O1B A:ADP1452 3.1 45.3 1.0 O3B A:ADP1452 3.5 49.7 1.0 OG A:SER37 3.5 52.0 1.0 PB A:ADP1452 3.6 42.3 1.0 CB A:SER37 3.6 47.8 1.0 O3A A:ADP1452 3.7 46.4 1.0 PA A:ADP1452 3.8 39.0 1.0 CD A:GLU798 3.9 65.7 1.0 OE1 A:GLN142 4.1 74.3 1.0 OE2 A:GLU798 4.5 79.6 1.0 NH2 A:ARG53 4.6 40.5 1.0 CD A:GLN142 4.6 73.7 1.0 O1A A:ADP1452 4.7 41.8 1.0 CG A:GLN142 4.9 68.0 1.0 CA A:SER37 4.9 50.2 1.0 O5' A:ADP1452 4.9 46.4 1.0 N A:SER37 5.0 47.0 1.0 CG A:GLU798 5.0 64.6 1.0

C.Mockel, K.Lammens, A.Schele, K.P.Hopfner. Atp Driven Structural Changes of the Bacterial MRE11:RAD50 Catalytic Head Complex. Nucleic Acids Res. V. 40 914 2012.
ISSN: ISSN 0305-1048
PubMed: 21937514
DOI: 10.1093/NAR/GKR749