Chlorine in PDB 6cug: Crystal Structure of BC8B Tcr-CD1B-Pc Complex

The structure of Crystal Structure of BC8B Tcr-CD1B-Pc Complex, PDB code: 6cug was solved by A.E.Shahine, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.93 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.300, 65.700, 101.900, 90.00, 100.70, 90.00
R / Rfree (%)	18.7 / 22.9

The binding sites of Chlorine atom in the Crystal Structure of BC8B Tcr-CD1B-Pc Complex (pdb code 6cug). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of BC8B Tcr-CD1B-Pc Complex, PDB code: 6cug:

Chlorine binding site 1 out of 1 in the Crystal Structure of BC8B Tcr-CD1B-Pc Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of BC8B Tcr-CD1B-Pc Complex within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl301 b:63.0 occ:1.00 N E:GLY3 3.0 39.6 1.0 N E:ALA2 3.5 44.4 1.0 CB E:ASP26 3.6 31.6 1.0 O E:HOH494 3.6 48.6 1.0 O E:ASP26 3.7 31.1 1.0 N E:ASP26 3.8 27.8 1.0 C E:ASP26 3.8 30.8 1.0 CA E:ALA2 3.8 44.0 1.0 CA E:GLY3 3.8 38.1 1.0 CA E:ASP26 3.9 28.7 1.0 O E:GLY3 3.9 39.3 1.0 C E:ALA2 3.9 45.6 1.0 O E:HOH523 4.2 51.9 1.0 C E:GLY3 4.3 38.5 1.0 CG E:MET27 4.4 26.5 1.0 N E:MET27 4.5 24.1 1.0 O E:HOH527 4.6 38.2 1.0 CG E:ASP26 4.7 53.0 1.0 O E:HOH444 4.8 33.0 1.0 OD2 E:ASP26 4.8 62.4 1.0

A.Shahine, P.Reinink, J.F.Reijneveld, S.Gras, M.Holzheimer, T.Y.Cheng, A.J.Minnaard, J.D.Altman, S.Lenz, J.Prandi, J.Kubler-Kielb, D.B.Moody, J.Rossjohn, I.Van Rhijn. A T-Cell Receptor Escape Channel Allows Broad T-Cell Response to CD1B and Membrane Phospholipids. Nat Commun V. 10 56 2019.
ISSN: ESSN 2041-1723
PubMed: 30610190
DOI: 10.1038/S41467-018-07898-0