Chlorine in PDB 5wki: Crystal Structure of PG90 Tcr-CD1B-Pg Complex

The structure of Crystal Structure of PG90 Tcr-CD1B-Pg Complex, PDB code: 5wki was solved by A.Shahine, S.Gras, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	75.73 / 2.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	152.010, 82.970, 90.160, 90.00, 94.88, 90.00
R / Rfree (%)	21.2 / 25.2

The structure of Crystal Structure of PG90 Tcr-CD1B-Pg Complex also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of PG90 Tcr-CD1B-Pg Complex (pdb code 5wki). 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 PG90 Tcr-CD1B-Pg Complex, PDB code: 5wki:

Chlorine binding site 1 out of 1 in the Crystal Structure of PG90 Tcr-CD1B-Pg 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 PG90 Tcr-CD1B-Pg Complex within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl304 b:57.8 occ:1.00 N E:ARG9 3.5 29.1 1.0 NH1 E:ARG9 3.6 71.3 1.0 CE1 E:TYR220 4.0 32.0 1.0 CB E:ARG9 4.0 28.7 1.0 N E:TYR10 4.1 27.6 1.0 CD1 E:TYR220 4.1 30.9 1.0 CA E:ARG9 4.2 28.0 1.0 CA E:PRO8 4.3 29.4 1.0 C E:PRO8 4.3 33.6 1.0 CB E:PRO8 4.3 31.1 1.0 O E:TYR10 4.6 32.1 1.0 CD E:ARG9 4.6 49.6 1.0 C E:ARG9 4.7 31.1 1.0 CG E:ARG9 4.7 38.7 1.0 CZ E:ARG9 4.8 79.8 1.0

A.Shahine, I.Van Rhijn, T.Y.Cheng, S.Iwany, S.Gras, D.B.Moody, J.Rossjohn. A Molecular Basis of Human T Cell Receptor Autoreactivity Toward Self-Phospholipids. Sci Immunol V. 2 2017.
ISSN: ESSN 2470-9468
PubMed: 29054999
DOI: 10.1126/SCIIMMUNOL.AAO1384