Chlorine in PDB 9ek7: Crystal Structure of Mait Tcr in Complex with MR1-5FDU

The structure of Crystal Structure of Mait Tcr in Complex with MR1-5FDU, PDB code: 9ek7 was solved by W.Awad, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.74 / 2.15
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	217.587, 70.528, 144.227, 90, 104.68, 90
R / Rfree (%)	17.8 / 20.7

The structure of Crystal Structure of Mait Tcr in Complex with MR1-5FDU also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Mait Tcr in Complex with MR1-5FDU (pdb code 9ek7). 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 Mait Tcr in Complex with MR1-5FDU, PDB code: 9ek7:

Chlorine binding site 1 out of 1 in the Crystal Structure of Mait Tcr in Complex with MR1-5FDU


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 Mait Tcr in Complex with MR1-5FDU within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:53.4 occ:0.84 O2 A:YC6301 2.8 45.3 0.8 OH A:TYR7 3.1 39.5 1.0 CG2 A:THR34 3.5 37.3 1.0 NZ A:LYS43 3.7 40.5 1.0 NE2 A:HIS58 3.7 33.9 1.0 C A:YC6301 3.8 36.2 0.2 C A:YC6301 3.8 36.0 0.8 C7 A:YC6301 3.9 44.2 0.8 O1 A:YC6301 4.1 43.8 0.2 CZ A:TYR7 4.1 38.1 1.0 CZ A:PHE168 4.1 39.5 1.0 CE1 A:TYR7 4.2 33.8 1.0 CE1 A:HIS58 4.3 37.1 1.0 OG1 A:THR34 4.3 38.4 1.0 C2 A:YC6301 4.3 40.4 0.2 C2 A:YC6301 4.3 40.3 0.8 CB A:THR34 4.4 34.0 1.0 C1 A:YC6301 4.4 39.8 0.2 C1 A:YC6301 4.5 39.9 0.8 CE A:MET50 4.5 35.4 1.0 CE2 A:PHE168 4.5 37.7 1.0 CE A:LYS43 4.6 42.5 1.0 CD2 A:HIS58 4.8 33.6 1.0 O3 A:YC6301 4.9 42.8 0.8

W.Awad, J.Rossjohn. Mitochondria Regulate MR1 Protein Expression and Produce Self-Metabolites That Activate MR1-Restricted T Cells Proc.Natl.Acad.Sci.Usa 2025.
ISSN: ESSN 1091-6490