Manganese in PDB 3thn: Crystal Structure of MRE11 Core with Manganese

The structure of Crystal Structure of MRE11 Core with Manganese, PDB code: 3thn 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)	46.06 / 2.81
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	138.859, 138.859, 123.102, 90.00, 90.00, 120.00
R / Rfree (%)	18.7 / 24.1

The binding sites of Manganese atom in the Crystal Structure of MRE11 Core with Manganese (pdb code 3thn). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of MRE11 Core with Manganese, PDB code: 3thn:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of MRE11 Core with Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of MRE11 Core with Manganese within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn360 b:37.4 occ:0.35 OD2 A:ASP14 2.4 22.7 1.0 OD2 A:ASP58 2.6 30.3 1.0 NE2 A:HIS16 2.7 37.9 1.0 NE2 A:HIS218 2.9 36.4 1.0 CD2 A:HIS218 3.2 34.2 1.0 CG A:ASP14 3.4 25.6 1.0 CG A:ASP58 3.4 32.6 1.0 O A:HIS216 3.5 26.2 1.0 CB A:ASP58 3.6 24.7 1.0 CE1 A:HIS16 3.7 37.3 1.0 CD2 A:HIS16 3.7 32.5 1.0 CB A:ASP14 3.8 25.7 1.0 C A:HIS216 4.0 26.9 1.0 MN A:MN361 4.1 17.9 1.0 CE1 A:HIS218 4.1 33.7 1.0 NE2 A:GLN94 4.1 62.5 1.0 CA A:HIS216 4.1 21.0 1.0 CA A:ASP14 4.4 23.6 1.0 CG A:HIS218 4.5 28.4 1.0 OD1 A:ASP14 4.6 31.6 1.0 OD1 A:ASP58 4.6 30.1 1.0 ND1 A:HIS16 4.8 32.6 1.0 CD A:GLN94 4.8 64.5 1.0 N A:HIS216 4.8 23.4 1.0 CG A:HIS16 4.9 31.1 1.0 ND1 A:HIS218 4.9 30.6 1.0 ND1 A:HIS216 5.0 24.8 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of MRE11 Core with Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of MRE11 Core with Manganese within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn361 b:17.9 occ:1.00 OD1 A:ASN93 2.0 39.7 1.0 NE2 A:HIS180 2.2 20.7 1.0 ND1 A:HIS216 2.2 24.8 1.0 OD2 A:ASP58 2.2 30.3 1.0 CG A:ASN93 3.0 38.7 1.0 CG A:ASP58 3.0 32.6 1.0 CD2 A:HIS180 3.1 22.0 1.0 CE1 A:HIS180 3.1 21.2 1.0 CE1 A:HIS216 3.1 21.2 1.0 CG A:HIS216 3.2 25.2 1.0 OD1 A:ASP58 3.2 30.1 1.0 ND2 A:ASN93 3.2 32.3 1.0 CB A:HIS216 3.5 20.5 1.0 CA A:HIS216 3.7 21.0 1.0 NE2 A:GLN94 4.1 62.5 1.0 MN A:MN360 4.1 37.4 0.3 N A:ASN93 4.2 29.9 1.0 ND1 A:HIS180 4.2 21.9 1.0 CG A:HIS180 4.3 22.6 1.0 NE2 A:HIS216 4.3 30.6 1.0 CD2 A:HIS216 4.3 23.5 1.0 CB A:ASN93 4.4 29.4 1.0 CB A:ASP58 4.4 24.7 1.0 O A:HIS216 4.4 26.2 1.0 C A:HIS216 4.6 26.9 1.0 OD2 A:ASP14 4.7 22.7 1.0 N A:HIS216 4.7 23.4 1.0 CG A:GLN94 4.8 50.4 1.0 CA A:ASN93 4.8 29.4 1.0 CD A:GLN94 4.8 64.5 1.0 N A:GLN94 4.9 32.4 1.0 CA A:GLY92 5.0 26.0 1.0 CD1 A:TYR139 5.0 33.9 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