Magnesium in PDB 4at8: Crystal Structure of the NF90-NF45 Dimerisation Domain Complex with Atp

The structure of Crystal Structure of the NF90-NF45 Dimerisation Domain Complex with Atp, PDB code: 4at8 was solved by U.M.Wolkowicz, A.G.Cook, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.844 / 2.69
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	70.871, 84.128, 159.597, 90.00, 93.34, 90.00
R / Rfree (%)	23.96 / 26.56

The binding sites of Magnesium atom in the Crystal Structure of the NF90-NF45 Dimerisation Domain Complex with Atp (pdb code 4at8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the NF90-NF45 Dimerisation Domain Complex with Atp, PDB code: 4at8:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the NF90-NF45 Dimerisation Domain Complex with Atp


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 the NF90-NF45 Dimerisation Domain Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1361 b:51.5 occ:1.00 OD1 A:ASP121 2.2 58.1 1.0 O3G A:ATP1362 2.2 41.5 0.8 O1B A:ATP1362 2.6 41.5 0.8 O1A A:ATP1362 2.6 41.5 0.8 CG A:ASP121 3.2 44.9 1.0 O A:VAL119 3.5 21.8 1.0 PG A:ATP1362 3.6 41.5 0.8 OD2 A:ASP121 3.6 51.6 1.0 PB A:ATP1362 3.9 41.5 0.8 O2G A:ATP1362 4.0 41.5 0.8 PA A:ATP1362 4.1 41.5 0.8 OG A:SER107 4.1 35.0 1.0 O3B A:ATP1362 4.2 41.5 0.8 C A:VAL119 4.4 20.3 1.0 O3A A:ATP1362 4.5 41.5 0.8 N A:SER107 4.5 13.0 1.0 CB A:ASP121 4.5 28.0 1.0 N A:ASP121 4.5 23.7 1.0 C A:ALA120 4.6 17.0 1.0 CA A:ALA120 4.6 11.9 1.0 CA A:GLY106 4.7 11.2 1.0 O1G A:ATP1362 4.7 41.5 0.8 C5' A:ATP1362 4.8 41.5 0.8 O5' A:ATP1362 4.8 41.5 0.8 N A:ALA120 4.8 9.6 1.0 CG1 A:VAL119 4.9 10.5 1.0 CB A:VAL119 5.0 10.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the NF90-NF45 Dimerisation Domain Complex with Atp


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 the NF90-NF45 Dimerisation Domain Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1363 b:51.5 occ:1.00 OD2 C:ASP121 2.3 76.1 1.0 O1G C:ATP1362 2.3 41.5 0.7 O1B C:ATP1362 3.0 41.5 0.7 O1A C:ATP1362 3.0 41.5 0.7 O C:VAL119 3.2 32.7 1.0 CG C:ASP121 3.3 62.9 1.0 OD1 C:ASP121 3.7 69.6 1.0 PG C:ATP1362 3.8 41.5 0.7 OG C:SER107 3.9 40.3 1.0 C C:VAL119 4.0 31.2 1.0 O2G C:ATP1362 4.3 41.5 0.7 PB C:ATP1362 4.3 41.5 0.7 PA C:ATP1362 4.4 41.5 0.7 CA C:ALA120 4.4 12.6 1.0 N C:ASP121 4.4 25.6 1.0 C C:ALA120 4.5 17.7 1.0 O3B C:ATP1362 4.5 41.5 0.7 N C:ALA120 4.6 10.2 1.0 N C:SER107 4.6 37.1 1.0 CB C:ASP121 4.6 46.0 1.0 CB C:VAL119 4.7 16.3 1.0 CG1 C:VAL119 4.7 16.3 1.0 O3G C:ATP1362 4.8 41.5 0.7 O2A C:ATP1362 4.8 41.5 0.7 O3A C:ATP1362 4.8 41.5 0.7 CA C:GLY106 4.9 13.7 1.0 CA C:VAL119 5.0 26.6 1.0

U.M.Wolkowicz, A.G.Cook. NF45 Dimerizes with NF90, Zfr and Spnr Via A Conserved Domain That Has A Nucleotidyltransferase Fold. Nucleic Acids Res. V. 40 9356 2012.
ISSN: ISSN 0305-1048
PubMed: 22833610
DOI: 10.1093/NAR/GKS696