Magnesium in PDB 6x1z: MRE11 Dimer in Complex with Small Molecule Modulator Pfmj

The structure of MRE11 Dimer in Complex with Small Molecule Modulator Pfmj, PDB code: 6x1z was solved by A.S.Arvai, D.Moiani, J.A.Tainer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.25 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.260, 109.440, 75.650, 90.00, 99.97, 90.00
R / Rfree (%)	20 / 23.9

The binding sites of Magnesium atom in the MRE11 Dimer in Complex with Small Molecule Modulator Pfmj (pdb code 6x1z). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the MRE11 Dimer in Complex with Small Molecule Modulator Pfmj, PDB code: 6x1z:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the MRE11 Dimer in Complex with Small Molecule Modulator Pfmj


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of MRE11 Dimer in Complex with Small Molecule Modulator Pfmj within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:49.6 occ:1.00 NE2 A:HIS180 2.6 31.7 1.0 OD1 A:ASP58 2.7 33.0 1.0 N A:ASN93 3.1 36.3 1.0 C5 A:MES603 3.3 75.2 1.0 CG A:ASP58 3.4 31.3 1.0 OD2 A:ASP58 3.4 31.4 1.0 CD2 A:HIS180 3.5 31.3 1.0 CE1 A:HIS180 3.6 28.8 1.0 CB A:ASN93 3.7 39.0 1.0 ND1 A:HIS216 3.7 33.2 1.0 CA A:GLY92 3.8 31.9 1.0 C6 A:MES603 3.9 75.3 1.0 CA A:ASN93 3.9 37.4 1.0 CE1 A:HIS216 4.0 32.1 1.0 C A:GLY92 4.0 34.9 1.0 O1 A:MES603 4.3 75.7 1.0 C8 A:MES603 4.3 74.0 1.0 N4 A:MES603 4.4 75.4 1.0 CG A:HIS180 4.6 30.1 1.0 ND1 A:HIS180 4.7 31.6 1.0 C A:ASN93 4.7 41.2 1.0 CB A:ASP58 4.8 30.5 1.0 CG A:HIS216 4.8 31.0 1.0 CE2 A:TYR139 4.8 56.7 1.0 C3 A:MES603 4.9 75.1 1.0 C7 A:MES603 5.0 74.6 1.0 O A:ASN93 5.0 46.5 1.0 CD2 A:TYR139 5.0 53.9 1.0

Magnesium binding site 2 out of 2 in the MRE11 Dimer in Complex with Small Molecule Modulator Pfmj


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of MRE11 Dimer in Complex with Small Molecule Modulator Pfmj within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg602 b:50.7 occ:1.00 O B:HOH839 2.8 53.7 1.0 N B:ASN93 2.9 34.7 1.0 NE2 B:HIS180 2.9 32.8 1.0 OD1 B:ASP58 3.0 35.9 1.0 C5 B:MES603 3.2 71.1 1.0 CB B:ASN93 3.4 40.7 1.0 CD2 B:HIS180 3.6 34.5 1.0 C6 B:MES603 3.6 70.9 1.0 CA B:ASN93 3.7 39.2 1.0 OD2 B:ASP58 3.7 37.2 1.0 CG B:ASP58 3.7 34.8 1.0 C B:GLY92 3.8 35.5 1.0 CA B:GLY92 3.8 29.5 1.0 CE1 B:HIS180 3.9 32.0 1.0 O1 B:MES603 4.0 70.2 1.0 ND1 B:HIS216 4.1 35.5 1.0 CE1 B:HIS216 4.2 35.1 1.0 C B:ASN93 4.4 40.1 1.0 N4 B:MES603 4.4 70.9 1.0 C8 B:MES603 4.5 71.4 1.0 O B:ASN93 4.7 40.6 1.0 CE1 B:TYR139 4.7 62.1 1.0 CG B:HIS180 4.8 33.2 1.0 CG B:ASN93 4.8 43.8 1.0 CD1 B:TYR139 4.9 60.3 1.0 C3 B:MES603 4.9 70.5 1.0 NH2 B:ARG63 4.9 76.8 1.0 ND1 B:HIS180 4.9 32.8 1.0 CG B:HIS216 4.9 34.3 1.0 CZ B:TYR139 5.0 66.3 1.0 O B:GLY92 5.0 37.8 1.0

D.Moiani, A.S.Arvai, J.A.Tainer. MRE11 Dimer in Complex with Small Molecule Modulator Pfmj To Be Published.