Magnesium in PDB 6cql: Crystal Structure of F24 Tcr -DR11-RQ13 Peptide Complex

The structure of Crystal Structure of F24 Tcr -DR11-RQ13 Peptide Complex, PDB code: 6cql 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)	48.78 / 2.40
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	75.531, 205.402, 69.516, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 25.6

The binding sites of Magnesium atom in the Crystal Structure of F24 Tcr -DR11-RQ13 Peptide Complex (pdb code 6cql). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of F24 Tcr -DR11-RQ13 Peptide Complex, PDB code: 6cql:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of F24 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 F24 Tcr -DR11-RQ13 Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:57.9 occ:1.00 N A:PHE54 3.6 34.5 1.0 O A:PHE54 3.7 36.6 1.0 CA A:SER53 4.0 38.2 1.0 C A:SER53 4.3 38.8 1.0 NE1 A:TRP43 4.3 41.2 1.0 CB A:SER53 4.4 41.3 1.0 CZ2 A:TRP43 4.4 41.9 1.0 C A:PHE54 4.5 36.4 1.0 O A:HOH375 4.5 47.4 1.0 CA A:PHE54 4.5 33.8 1.0 CE2 A:TRP43 4.8 42.5 1.0 O A:HOH382 4.9 53.7 1.0 OG A:SER53 4.9 49.4 1.0 O A:ALA52 4.9 44.2 1.0 CB A:THR41 4.9 48.2 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of F24 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 2 of Crystal Structure of F24 Tcr -DR11-RQ13 Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg301 b:56.7 occ:1.00 NZ D:LYS67 2.9 0.3 1.0 CD D:LYS67 3.3 85.9 1.0 N D:VAL55 3.4 37.0 1.0 CE D:LYS67 3.7 96.2 1.0 O D:VAL55 3.8 37.8 1.0 CA D:PHE54 3.9 38.3 1.0 C D:PHE54 4.1 40.8 1.0 CA D:VAL55 4.3 36.0 1.0 CB D:VAL55 4.4 39.1 1.0 C D:VAL55 4.4 39.5 1.0 CB D:PHE54 4.5 39.9 1.0 CD1 D:PHE54 4.5 43.7 1.0 O D:LEU53 4.7 42.8 1.0 CG D:LYS67 4.7 76.8 1.0 CG2 D:VAL55 4.9 38.9 1.0 CG D:PHE54 5.0 41.3 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of F24 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 3 of Crystal Structure of F24 Tcr -DR11-RQ13 Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg302 b:63.7 occ:1.00 OE2 D:GLU66 3.7 85.8 1.0 OG D:SER73 3.9 53.4 1.0 CB D:SER73 4.0 44.0 1.0 O D:HOH455 4.2 58.1 1.0 OE1 D:GLU66 4.3 94.1 1.0 CG D:TYR86 4.3 43.8 1.0 CD D:GLU66 4.3 94.5 1.0 CD2 D:TYR86 4.5 45.2 1.0 O D:HOH414 4.5 49.1 1.0 CB D:TYR86 4.6 40.7 1.0 CD1 D:TYR86 4.6 46.0 1.0 CE D:LYS68 4.6 97.0 1.0 CE2 D:TYR86 4.9 46.4 1.0 NZ D:LYS68 5.0 0.8 1.0 CE1 D:TYR86 5.0 46.8 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