Magnesium in PDB 3q15: Crystal Structure of Raph Complexed with SPO0F

The structure of Crystal Structure of Raph Complexed with SPO0F, PDB code: 3q15 was solved by V.Parashar, M.B.Neiditch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.25 / 2.19
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.064, 157.452, 84.715, 90.00, 110.57, 90.00
R / Rfree (%)	22 / 26.8

The binding sites of Magnesium atom in the Crystal Structure of Raph Complexed with SPO0F (pdb code 3q15). 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 Raph Complexed with SPO0F, PDB code: 3q15:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Raph Complexed with SPO0F


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 Raph Complexed with SPO0F within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg125 b:72.3 occ:1.00 OD1 C:ASP54 2.1 76.2 1.0 OD1 C:ASP11 2.2 65.7 1.0 O C:LYS56 2.3 75.2 1.0 CG C:ASP54 3.0 72.0 1.0 CG C:ASP11 3.3 66.6 1.0 OD2 C:ASP54 3.3 71.3 1.0 C C:LYS56 3.4 79.2 1.0 OD2 C:ASP11 3.8 69.4 1.0 CB C:LYS56 3.8 81.3 1.0 CG C:LYS56 4.0 85.0 1.0 CA C:LYS56 4.1 80.8 1.0 OD1 C:ASP10 4.2 60.9 1.0 NE2 A:GLN47 4.2 62.4 1.0 OD2 C:ASP10 4.3 62.7 1.0 CB C:ASP54 4.3 67.4 1.0 NZ C:LYS104 4.3 61.1 1.0 OE1 C:GLN12 4.4 69.4 1.0 N C:ILE57 4.4 81.1 1.0 CG C:ASP10 4.5 61.3 1.0 CB C:ASP11 4.5 65.5 1.0 N C:ASP11 4.6 62.4 1.0 CG C:GLN12 4.6 66.2 1.0 CA C:ILE57 4.6 75.1 1.0 CG1 C:ILE57 4.7 76.6 1.0 N C:LYS56 4.7 81.4 1.0 CD C:GLN12 4.9 67.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Raph Complexed with SPO0F


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 Raph Complexed with SPO0F within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg125 b:74.5 occ:1.00 OD1 D:ASP11 2.1 69.8 1.0 OD1 D:ASP54 2.2 63.1 1.0 O D:LYS56 2.3 70.2 1.0 CG D:ASP11 3.1 68.1 1.0 CG D:ASP54 3.3 67.4 1.0 OD2 D:ASP11 3.4 65.8 1.0 C D:LYS56 3.5 72.1 1.0 CG D:LYS56 3.5 90.2 1.0 OD2 D:ASP54 3.8 70.8 1.0 OD1 D:ASP10 4.0 73.0 1.0 OE1 D:GLN12 4.0 88.6 1.0 CD D:LYS56 4.2 92.9 1.0 NZ D:LYS104 4.3 73.5 1.0 CD D:GLN12 4.3 88.7 1.0 CE D:LYS56 4.4 91.8 1.0 CB D:LYS56 4.4 84.4 1.0 CG1 D:ILE57 4.4 66.5 1.0 CA D:LYS56 4.4 79.4 1.0 N D:ILE57 4.4 69.9 1.0 CB D:ASP11 4.5 59.3 1.0 CA D:ILE57 4.5 66.4 1.0 CB D:ASP54 4.6 68.1 1.0 CG D:GLN12 4.6 85.9 1.0 N D:ASP11 4.7 56.9 1.0 NE2 B:GLN47 4.7 87.9 1.0 CG D:ASP10 4.8 69.8 1.0 N D:LYS56 4.8 79.9 1.0 NE2 D:GLN12 4.9 91.3 1.0 OD2 D:ASP10 5.0 72.4 1.0

V.Parashar, N.Mirouze, D.A.Dubnau, M.B.Neiditch. Structural Basis of Response Regulator Dephosphorylation By Rap Phosphatases. Plos Biol. V. 9 E1000 2011.
ISSN: ISSN 1544-9173
PubMed: 21346797
DOI: 10.1371/JOURNAL.PBIO.1000589