Magnesium in PDB 4lhu: Crystal Structure of 9C2 Tcr Bound to CD1D

The structure of Crystal Structure of 9C2 Tcr Bound to CD1D, PDB code: 4lhu was solved by A.P.Uldrich, J.Le Nours, D.G.Pellicci, S.Gras, J.Rossjohn, D.I.Godfrey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.47 / 2.87
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	131.620, 152.690, 135.200, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 24.3

The structure of Crystal Structure of 9C2 Tcr Bound to CD1D also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of 9C2 Tcr Bound to CD1D (pdb code 4lhu). 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 9C2 Tcr Bound to CD1D, PDB code: 4lhu:

Magnesium binding site 1 out of 1 in the Crystal Structure of 9C2 Tcr Bound to CD1D


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 9C2 Tcr Bound to CD1D within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg307 b:80.3 occ:1.00 O2A A:JLS308 4.0 55.9 1.0 CG A:ASP151 4.4 64.4 1.0 O A:HOH401 4.4 58.3 1.0 CB A:ASP151 4.6 51.5 1.0 OD1 A:ASP151 4.6 64.4 1.0 OD2 A:ASP151 4.6 74.3 1.0 O3A A:JLS308 4.8 50.4 1.0 CA A:ASP151 4.8 50.8 1.0 CL G:CL301 4.9 70.5 1.0 C2A A:JLS308 5.0 53.4 1.0

A.P.Uldrich, J.Le Nours, D.G.Pellicci, N.A.Gherardin, K.G.Mcpherson, R.T.Lim, O.Patel, T.Beddoe, S.Gras, J.Rossjohn, D.I.Godfrey. CD1D-Lipid Antigen Recognition By the Gamma Delta Tcr. Nat.Immunol. V. 14 1137 2013.
ISSN: ISSN 1529-2908
PubMed: 24076636
DOI: 10.1038/NI.2713