Magnesium in PDB 3qi9: Crystal Structure of Mouse CD1D-Alpha-Phosphotidylinositol with Mouse VALPHA14-VBETA6 2A3-D Nkt Tcr

The structure of Crystal Structure of Mouse CD1D-Alpha-Phosphotidylinositol with Mouse VALPHA14-VBETA6 2A3-D Nkt Tcr, PDB code: 3qi9 was solved by A.J.Clarke, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.31 / 2.30
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	95.697, 95.697, 289.710, 90.00, 90.00, 90.00
R / Rfree (%)	24.7 / 27.5

The binding sites of Magnesium atom in the Crystal Structure of Mouse CD1D-Alpha-Phosphotidylinositol with Mouse VALPHA14-VBETA6 2A3-D Nkt Tcr (pdb code 3qi9). 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 Crystal Structure of Mouse CD1D-Alpha-Phosphotidylinositol with Mouse VALPHA14-VBETA6 2A3-D Nkt Tcr, PDB code: 3qi9:

Magnesium binding site 1 out of 1 in the Crystal Structure of Mouse CD1D-Alpha-Phosphotidylinositol with Mouse VALPHA14-VBETA6 2A3-D Nkt Tcr


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 Mouse CD1D-Alpha-Phosphotidylinositol with Mouse VALPHA14-VBETA6 2A3-D Nkt Tcr within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg406 b:62.9 occ:1.00 CE1 A:HIS284 3.8 34.4 1.0 NE2 A:HIS284 4.0 34.4 1.0 ND1 A:HIS284 4.3 34.2 1.0 CB A:ALA288 4.3 42.2 1.0 O A:HOH518 4.5 40.4 1.0 CD2 A:HIS284 4.6 34.0 1.0 CG A:HIS284 4.7 34.3 1.0 CA A:ILE285 4.8 37.0 1.0 CZ2 A:TRP279 4.8 39.4 1.0 CG1 A:ILE285 4.8 36.4 1.0 O A:HIS284 5.0 37.4 1.0

T.Mallevaey, A.J.Clarke, J.P.Scott-Browne, M.H.Young, L.C.Roisman, D.G.Pellicci, O.Patel, J.P.Vivian, J.L.Matsuda, J.Mccluskey, D.I.Godfrey, P.Marrack, J.Rossjohn, L.Gapin. A Molecular Basis For Nkt Cell Recognition of CD1D-Self-Antigen Immunity V. 34 315 2011.
ISSN: ISSN 1074-7613
PubMed: 21376640
DOI: 10.1016/J.IMMUNI.2011.01.013