Calcium in PDB 3c6l: Crystal Structure of Mouse Mhc Class II I-Ab/3K Peptide Complexed with Mouse Tcr 2W20

The structure of Crystal Structure of Mouse Mhc Class II I-Ab/3K Peptide Complexed with Mouse Tcr 2W20, PDB code: 3c6l was solved by S.Dai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.07 / 3.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.540, 113.930, 386.260, 90.00, 90.00, 90.00
R / Rfree (%)	26.8 / 32.5

The binding sites of Calcium atom in the Crystal Structure of Mouse Mhc Class II I-Ab/3K Peptide Complexed with Mouse Tcr 2W20 (pdb code 3c6l). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Mouse Mhc Class II I-Ab/3K Peptide Complexed with Mouse Tcr 2W20, PDB code: 3c6l:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Mouse Mhc Class II I-Ab/3K Peptide Complexed with Mouse Tcr 2W20


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Mouse Mhc Class II I-Ab/3K Peptide Complexed with Mouse Tcr 2W20 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca189 b:45.8 occ:1.00 OG1 A:THR28 2.5 74.5 1.0 OE1 D:GLU2 2.8 79.4 1.0 OD1 A:ASP93 3.1 0.6 1.0 OE2 D:GLU2 3.1 82.8 1.0 OD2 A:ASP26 3.1 58.0 1.0 CD D:GLU2 3.3 78.1 1.0 OD1 A:ASP26 3.3 55.0 1.0 OD2 C:ASP56 3.5 82.1 1.0 CG A:ASP26 3.5 61.0 1.0 CB A:THR28 3.6 79.0 1.0 CG2 A:THR28 3.6 75.4 1.0 CB C:ASP56 4.0 65.8 1.0 CG C:ASP56 4.2 76.0 1.0 CG A:ASP93 4.2 0.3 1.0 ND2 A:ASN97 4.4 0.8 1.0 CG D:GLU2 4.8 72.3 1.0 CA A:THR28 4.9 81.2 1.0 CB A:ASP93 4.9 0.3 1.0 CB A:ASP26 5.0 69.3 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Mouse Mhc Class II I-Ab/3K Peptide Complexed with Mouse Tcr 2W20


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Mouse Mhc Class II I-Ab/3K Peptide Complexed with Mouse Tcr 2W20 within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca189 b:73.4 occ:1.00 OD2 E:ASP26 2.6 0.3 1.0 OG1 E:THR28 2.9 89.2 1.0 OD1 E:ASP93 2.9 0.8 1.0 OE2 H:GLU2 2.9 94.1 1.0 OE1 H:GLU2 3.0 94.0 1.0 CG E:ASP26 3.0 0.6 1.0 OD1 E:ASP26 3.1 0.1 1.0 CD H:GLU2 3.3 94.4 1.0 OD2 G:ASP56 4.0 0.6 1.0 CG E:ASP93 4.1 0.5 1.0 CB E:THR28 4.1 86.8 1.0 CB E:ASP26 4.3 97.4 1.0 CG2 E:THR28 4.4 89.7 1.0 CB G:ASP56 4.6 87.6 1.0 CG G:ASP56 4.8 0.6 1.0 CG H:GLU2 4.9 93.8 1.0 ND2 E:ASN97 4.9 75.8 1.0 OD2 E:ASP93 4.9 0.8 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Mouse Mhc Class II I-Ab/3K Peptide Complexed with Mouse Tcr 2W20


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Mouse Mhc Class II I-Ab/3K Peptide Complexed with Mouse Tcr 2W20 within 5.0Å range:

S.Dai, E.S.Huseby, K.Rubtsova, J.Scott-Browne, F.Crawford, W.A.Macdonald, P.Marrack, J.W.Kappler. Crossreactive T Cells Spotlight the Germline Rules For Alphabeta T Cell-Receptor Interactions with Mhc Molecules. Immunity V. 28 324 2008.
ISSN: ISSN 1074-7613
PubMed: 18308592
DOI: 10.1016/J.IMMUNI.2008.01.008