Magnesium in PDB 6cqq: Crystal Structure of F24 Tcr -DR15-RQ13 Peptide Complex

The structure of Crystal Structure of F24 Tcr -DR15-RQ13 Peptide Complex, PDB code: 6cqq 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)	40.99 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	76.339, 203.273, 100.245, 90.00, 109.16, 90.00
R / Rfree (%)	20.7 / 25.4

The binding sites of Magnesium atom in the Crystal Structure of F24 Tcr -DR15-RQ13 Peptide Complex (pdb code 6cqq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of F24 Tcr -DR15-RQ13 Peptide Complex, PDB code: 6cqq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of F24 Tcr -DR15-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 -DR15-RQ13 Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg201 b:50.3 occ:1.00 OH B:TYR30 3.0 55.6 1.0 OD2 B:ASP28 3.5 68.8 1.0 CB C:GLU97 3.7 32.6 1.0 N C:GLU97 3.9 32.3 1.0 CZ B:TYR30 4.1 48.6 1.0 O C:HOH301 4.1 47.8 1.0 CA C:GLU97 4.4 30.9 1.0 CZ B:PHE47 4.5 42.7 1.0 CE2 B:PHE47 4.5 44.8 1.0 CG B:ASP28 4.5 58.8 1.0 CE1 B:TYR30 4.5 39.5 1.0 O C:ARG95 4.6 32.5 1.0 CE3 B:TRP61 4.7 34.7 1.0 C C:ALA96 4.7 34.9 1.0 CZ3 B:TRP61 4.7 35.9 1.0 CA C:ALA96 4.7 29.4 1.0 CD2 B:TRP61 4.7 33.4 1.0 CE2 B:TRP61 4.7 36.3 1.0 CH2 B:TRP61 4.7 36.2 1.0 CZ2 B:TRP61 4.8 35.4 1.0 CG2 B:ILE67 4.9 43.5 1.0 OD1 B:ASP28 4.9 58.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of F24 Tcr -DR15-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 -DR15-RQ13 Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg201 b:63.6 occ:1.00 NH1 C:ARG89 3.3 77.5 1.0 NZ D:LYS79 3.4 0.1 1.0 ND1 B:HIS81 3.6 43.0 1.0 NH2 C:ARG89 3.8 93.3 1.0 CB B:HIS81 4.0 40.4 1.0 CZ C:ARG89 4.1 95.3 1.0 CA B:HIS81 4.1 41.2 1.0 CE D:LYS79 4.2 97.8 1.0 CG B:HIS81 4.3 42.2 1.0 CE1 B:HIS81 4.7 42.1 1.0 N B:HIS81 4.7 42.9 1.0 O B:ASP76 4.8 42.8 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