Magnesium in PDB 3huj: Crystal Structure of Human CD1D-Alpha-Galactosylceramide in Complex with Semi-Invariant Nkt Cell Receptor

The structure of Crystal Structure of Human CD1D-Alpha-Galactosylceramide in Complex with Semi-Invariant Nkt Cell Receptor, PDB code: 3huj was solved by S.S.Pang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.28 / 2.50
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	112.112, 82.360, 117.184, 90.00, 101.26, 90.00
R / Rfree (%)	21.6 / 27.9

The binding sites of Magnesium atom in the Crystal Structure of Human CD1D-Alpha-Galactosylceramide in Complex with Semi-Invariant Nkt Cell Receptor (pdb code 3huj). 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 Human CD1D-Alpha-Galactosylceramide in Complex with Semi-Invariant Nkt Cell Receptor, PDB code: 3huj:

Magnesium binding site 1 out of 1 in the Crystal Structure of Human CD1D-Alpha-Galactosylceramide in Complex with Semi-Invariant Nkt Cell Receptor


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 Human CD1D-Alpha-Galactosylceramide in Complex with Semi-Invariant Nkt Cell Receptor within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg1000 b:27.2 occ:0.50 O A:HOH559 2.1 18.4 1.0 OD1 H:ASP30 2.8 24.6 1.0 O H:GLY28 3.1 29.2 0.5 OD2 H:ASP30 3.2 28.4 1.0 CG H:ASP30 3.3 27.4 1.0 NE2 A:GLN146 3.9 26.8 1.0 O H:HOH563 4.0 27.9 1.0 C H:GLY28 4.3 29.2 1.0 N H:ASP30 4.6 26.9 1.0 CB H:ASP30 4.7 26.3 1.0 O H:HOH324 4.9 40.1 1.0

D.G.Pellicci, O.Patel, L.Kjer-Nielsen, S.S.Pang, L.C.Sullivan, K.Kyparissoudis, A.G.Brooks, H.H.Reid, S.Gras, I.S.Lucet, R.Koh, M.J.Smyth, T.Mallevaey, J.L.Matsuda, L.Gapin, J.Mccluskey, D.I.Godfrey, J.Rossjohn. Differential Recognition of CD1D-Alpha-Galactosyl Ceramide By the V Beta 8.2 and V Beta 7 Semi-Invariant Nkt T Cell Receptors Immunity V. 31 47 2009.
ISSN: ISSN 1074-7613
PubMed: 19592275
DOI: 10.1016/J.IMMUNI.2009.04.018