Chlorine in PDB 4pri: Crystal Structure of TK3 Tcr-Hla-B*35:08-Hpvg Complex

The structure of Crystal Structure of TK3 Tcr-Hla-B*35:08-Hpvg Complex, PDB code: 4pri was solved by L.Yu Chih, J.Rossjohn, S.Gras, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.70 / 2.40
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	44.580, 62.380, 100.460, 98.17, 94.59, 109.12
R / Rfree (%)	21.3 / 26.1

The structure of Crystal Structure of TK3 Tcr-Hla-B*35:08-Hpvg Complex also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of TK3 Tcr-Hla-B*35:08-Hpvg Complex (pdb code 4pri). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of TK3 Tcr-Hla-B*35:08-Hpvg Complex, PDB code: 4pri:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of TK3 Tcr-Hla-B*35:08-Hpvg 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 TK3 Tcr-Hla-B*35:08-Hpvg Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:35.3 occ:1.00 CB E:ALA67 3.8 24.4 1.0 CA E:ALA67 3.8 23.3 1.0 CB A:GLN65 3.9 16.8 1.0 OG1 A:THR69 4.0 20.0 1.0 O A:GLN65 4.2 16.6 1.0 CB D:SER112 4.3 18.7 1.0 N E:ALA67 4.4 23.6 1.0 O E:ARG66 4.4 29.6 1.0 NE2 A:GLN65 4.5 27.6 1.0 O D:SER112 4.5 17.5 1.0 CG A:GLN65 4.5 20.6 1.0 OG D:SER112 4.6 22.3 1.0 C E:ARG66 4.6 28.6 1.0 C A:GLN65 4.8 16.6 1.0 CA A:GLN65 4.8 15.3 1.0 N D:SER112 4.9 17.5 1.0 CA D:SER112 5.0 16.3 1.0 O A:HOH410 5.0 18.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of TK3 Tcr-Hla-B*35:08-Hpvg Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of TK3 Tcr-Hla-B*35:08-Hpvg Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl302 b:45.7 occ:1.00 CA D:PRO8 3.8 16.4 1.0 CB D:PRO8 4.0 16.9 1.0 NA D:NA301 4.0 30.6 1.0 N D:GLU9 4.1 20.9 1.0 C D:PRO8 4.5 23.9 1.0 CB D:SER7 4.7 15.4 1.0 CG D:GLU9 4.9 28.9 0.5

Y.C.Liu, Z.Chen, M.A.Neller, J.J.Miles, A.W.Purcell, J.Mccluskey, S.R.Burrows, J.Rossjohn, S.Gras. A Molecular Basis For the Interplay Between T Cells, Viral Mutants, and Human Leukocyte Antigen Micropolymorphism. J.Biol.Chem. V. 289 16688 2014.
ISSN: ISSN 0021-9258
PubMed: 24759101
DOI: 10.1074/JBC.M114.563502