Magnesium in PDB 3vwj: Ternary Crystal Structure of the Human Nkt Tcr-CD1D-C20:2 Complex

The structure of Ternary Crystal Structure of the Human Nkt Tcr-CD1D-C20:2 Complex, PDB code: 3vwj was solved by K.S.Wun, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.97 / 3.09
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	145.930, 176.910, 82.950, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 29.2

The binding sites of Magnesium atom in the Ternary Crystal Structure of the Human Nkt Tcr-CD1D-C20:2 Complex (pdb code 3vwj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Ternary Crystal Structure of the Human Nkt Tcr-CD1D-C20:2 Complex, PDB code: 3vwj:

Magnesium binding site 1 out of 1 in the Ternary Crystal Structure of the Human Nkt Tcr-CD1D-C20:2 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ternary Crystal Structure of the Human Nkt Tcr-CD1D-C20:2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg301 b:62.6 occ:0.50 OD2 D:ASP30 3.0 44.7 1.0 OD1 D:ASP30 3.1 41.9 0.8 CG D:ASP30 3.4 43.8 0.2 O D:GLY28 3.9 57.5 1.0 NE2 A:GLN146 4.4 51.7 0.5 CB D:ASP30 4.8 41.7 1.0 C D:GLY28 4.8 57.7 1.0

K.S.Wun, F.Ross, O.Patel, G.S.Besra, S.A.Porcelli, S.K.Richardson, S.Keshipeddy, A.R.Howell, D.I.Godfrey, J.Rossjohn. Human and Mouse Type I Natural Killer T Cell Antigen Receptors Exhibit Different Fine Specificities For CD1D-Antigen Complex J.Biol.Chem. V. 287 39139 2012.
ISSN: ISSN 0021-9258
PubMed: 22995911
DOI: 10.1074/JBC.M112.412320