Magnesium in PDB 8rau: The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2/MSH3) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 and MSH3

The structure of The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2/MSH3) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 and MSH3, PDB code: 8rau was solved by M.Thomsen, E.Costanzi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.45 / 2.33
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	69.843, 91.879, 94.119, 67.32, 86.93, 75.69
R / Rfree (%)	22.2 / 25.8

The binding sites of Magnesium atom in the The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2/MSH3) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 and MSH3 (pdb code 8rau). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2/MSH3) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 and MSH3, PDB code: 8rau:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2/MSH3) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 and MSH3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2/MSH3) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 and MSH3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1002 b:52.7 occ:1.00 O A:HOH1139 2.1 58.2 1.0 O A:HOH1124 2.1 56.4 1.0 O A:HOH1104 2.1 51.6 1.0 O2B A:ADP1001 2.1 55.6 1.0 O A:HOH1177 2.1 53.7 1.0 OG A:SER676 2.1 65.0 1.0 PB A:ADP1001 3.1 54.0 1.0 O3B A:ADP1001 3.1 49.2 1.0 CB A:SER676 3.3 60.5 1.0 OE2 A:GLU749 3.8 84.2 1.0 O2A A:ADP1001 3.9 53.7 1.0 N A:SER676 4.0 57.4 1.0 OD1 A:ASP748 4.1 69.3 1.0 O3A A:ADP1001 4.1 55.2 1.0 CA A:SER676 4.2 57.7 1.0 O1B A:ADP1001 4.2 60.3 1.0 OD2 A:ASP748 4.3 67.7 1.0 PA A:ADP1001 4.4 51.8 1.0 CG A:ASP748 4.6 66.8 1.0 O1A A:ADP1001 4.7 48.4 1.0 O A:HOH1180 4.9 61.0 1.0 CD A:GLU749 4.9 83.1 1.0

Magnesium binding site 2 out of 2 in the The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2/MSH3) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 and MSH3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2/MSH3) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 and MSH3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1202 b:49.5 occ:1.00 O B:HOH1332 2.1 45.6 1.0 O2B B:ADP1201 2.1 47.2 1.0 O B:HOH1372 2.1 46.6 1.0 OG B:SER903 2.1 57.9 1.0 O B:HOH1312 2.1 51.4 1.0 O B:HOH1327 2.1 53.6 1.0 O3B B:ADP1201 2.7 48.4 1.0 PB B:ADP1201 2.9 52.8 1.0 CB B:SER903 3.4 53.4 1.0 O1B B:ADP1201 4.0 57.8 1.0 O3A B:ADP1201 4.0 57.5 1.0 N B:SER903 4.1 50.0 1.0 O2A B:ADP1201 4.2 52.3 1.0 CA B:SER903 4.3 49.9 1.0 OE2 B:GLU976 4.3 61.5 1.0 OD1 B:ASP975 4.4 61.0 1.0 PA B:ADP1201 4.5 53.4 1.0 OD2 B:ASP975 4.5 61.4 1.0 OD1 B:ASN898 4.6 64.5 1.0 O1A B:ADP1201 4.7 52.9 1.0 CB B:LYS902 4.7 51.1 1.0 NZ B:LYS902 4.8 55.7 1.0 O B:HOH1381 4.8 55.2 1.0 CG B:ASP975 4.9 59.2 1.0 CE B:LYS902 4.9 53.7 1.0 CG B:ASN898 5.0 65.5 1.0

M.Thomsen, T.Neudegger, G.Thieulin-Pardo, M.Blaesse, E.Costanzi, S.Steinbacher, N.V.Plotnikov, C.Dominguez, R.R.Iyer, H.A.Wilkinson, E.Monteagudo, T.S.Haque, B.C.Prasad, M.Finley, J.Boudet, T.F.Vogt, D.P.Felsenfeld. The Crystal Structure of Dna-Bound Human Mutsbeta (MSH2/MSH3) in the Canonical Mismatch Bound Conformation with Adp Bound in MSH2 and MSH3 To Be Published.