Magnesium 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:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium 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 Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of F5 Tcr -DR11-RQ13 Peptide Complex, PDB code: 6cqn:

Magnesium binding site 1 out of 1 in the Crystal Structure of F5 Tcr -DR11-RQ13 Peptide Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg 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 C:Mg201 b:22.7 occ:1.00 N C:PHE90 3.1 26.1 1.0 N D:ASN29 3.4 29.0 1.0 CB C:PHE90 3.6 24.4 1.0 CE1 B:HIS81 3.6 27.5 1.0 NE2 B:HIS81 3.8 27.4 1.0 CA C:PHE90 3.8 23.7 1.0 CA D:SER28 3.9 37.2 1.0 CB C:ARG89 3.9 30.8 1.0 CE C:LYS92 4.0 42.9 1.0 O C:PHE90 4.0 29.3 1.0 C C:ARG89 4.1 32.2 1.0 CA C:ARG89 4.1 29.4 1.0 CD2 C:PHE90 4.2 27.0 1.0 C D:SER28 4.2 38.2 1.0 CG C:ARG89 4.2 41.2 1.0 CA D:ASN29 4.2 26.3 1.0 CB D:SER28 4.3 41.7 1.0 CG C:PHE90 4.4 24.9 1.0 C C:PHE90 4.4 29.3 1.0 OG D:SER28 4.6 58.0 1.0 O D:SER27 4.7 45.0 1.0 NE C:ARG89 4.8 41.3 1.0 NZ C:LYS92 4.9 30.7 1.0 ND1 B:HIS81 4.9 28.5 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