Chlorine in PDB 6cqn: Crystal Structure of F5 Tcr -DR11-RQ13 Peptide Complex

The structure of Crystal Structure of F5 Tcr -DR11-RQ13 Peptide Complex, PDB code: 6cqn was solved by C.Farenc, S.Gras, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.48 / 2.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	75.317, 205.792, 70.229, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 25.1

The structure of Crystal Structure of F5 Tcr -DR11-RQ13 Peptide Complex also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of F5 Tcr -DR11-RQ13 Peptide Complex (pdb code 6cqn). 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 F5 Tcr -DR11-RQ13 Peptide Complex, PDB code: 6cqn:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of F5 Tcr -DR11-RQ13 Peptide 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 F5 Tcr -DR11-RQ13 Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:69.3 occ:1.00 O A:HOH305 3.0 43.6 1.0 N A:PHE54 3.5 26.3 1.0 O A:PHE54 3.6 29.4 1.0 CA A:SER53 3.8 28.2 1.0 CB A:SER53 4.1 32.9 1.0 C A:SER53 4.1 28.8 1.0 CZ2 A:TRP43 4.2 27.1 1.0 NE1 A:TRP43 4.2 26.0 1.0 C A:PHE54 4.4 28.3 1.0 CA A:PHE54 4.4 26.1 1.0 OG A:SER53 4.4 42.5 1.0 CE2 A:TRP43 4.6 27.7 1.0 O A:ALA52 4.7 30.5 1.0 CB A:PHE54 5.0 27.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of F5 Tcr -DR11-RQ13 Peptide 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 F5 Tcr -DR11-RQ13 Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:67.2 occ:1.00 NZ D:LYS67 3.5 68.9 1.0 CD D:LYS67 3.7 60.2 1.0 N D:VAL55 3.8 30.4 1.0 CE D:LYS67 3.9 62.0 1.0 CA D:PHE54 4.1 32.2 1.0 O D:VAL55 4.2 31.6 1.0 C D:PHE54 4.5 35.6 1.0 O D:LEU53 4.5 32.9 1.0 CB D:PHE54 4.6 33.8 1.0 CD1 D:PHE54 4.6 38.0 1.0 CA D:VAL55 4.8 28.9 1.0 C D:VAL55 4.8 32.8 1.0 CG D:LYS67 4.9 53.6 1.0 CB D:VAL55 4.9 31.4 1.0

M.Galperin, C.Farenc, M.Mukhopadhyay, D.Jayasinghe, A.Decroos, D.Benati, L.L.Tan, L.Ciacchi, H.H.Reid, J.Rossjohn, L.A.Chakrabarti, S.Gras. CD4+T Cell-Mediated Hla Class II Cross-Restriction in Hiv Controllers. Sci Immunol V. 3 2018.
ISSN: ESSN 2470-9468
PubMed: 29884618
DOI: 10.1126/SCIIMMUNOL.AAT0687