Calcium in PDB 4p57: Mhc Tcr Peptide Complex

The structure of Mhc Tcr Peptide Complex, PDB code: 4p57 was solved by G.M.Clayton, F.Crawford, J.W.Kappler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	77.10 / 2.60
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	102.392, 102.392, 234.330, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 24.5

The binding sites of Calcium atom in the Mhc Tcr Peptide Complex (pdb code 4p57). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Mhc Tcr Peptide Complex, PDB code: 4p57:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Mhc Tcr Peptide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Mhc Tcr Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:50.0 occ:1.00 OE1 B:GLU-17 2.4 60.9 1.0 O B:HOH310 2.5 36.5 1.0 OE2 B:GLU-17 2.9 42.1 1.0 OE2 B:GLU68 3.0 57.8 1.0 CD B:GLU-17 3.0 53.8 1.0 CD B:GLU68 3.7 71.2 1.0 O B:LEU-19 3.8 35.9 1.0 OE1 B:GLU68 4.0 69.7 1.0 O B:PHE-18 4.2 34.5 1.0 NZ B:LYS69 4.3 26.5 1.0 CG B:GLU-17 4.5 37.6 1.0 O B:HOH305 4.6 25.4 1.0 C B:LEU-19 4.6 36.3 1.0 C B:PHE-18 4.6 34.0 1.0 CA B:GLU-17 4.7 30.4 1.0 CB B:LEU-19 4.8 35.8 1.0 CE B:LYS69 4.8 33.5 1.0 CG B:GLU68 4.8 52.4 1.0 N B:GLU-17 4.9 30.6 1.0

Calcium binding site 2 out of 2 in the Mhc Tcr Peptide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Mhc Tcr Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca201 b:50.4 occ:1.00 OE2 D:GLU68 2.3 65.3 1.0 OE1 D:GLU-17 2.3 61.6 1.0 O D:HOH304 2.4 35.0 1.0 OE2 D:GLU-17 2.6 42.7 1.0 CD D:GLU-17 2.8 61.3 1.0 CD D:GLU68 3.1 70.2 1.0 OE1 D:GLU68 3.4 52.8 1.0 CG D:GLU-17 4.3 45.1 1.0 O D:LEU-19 4.3 41.2 1.0 CG D:GLU68 4.5 55.0 1.0 O D:HOH301 4.8 36.2 1.0 O D:PHE-18 4.8 39.4 1.0 NZ D:LYS69 4.9 42.7 1.0

G.M.Clayton, Y.Wang, F.Crawford, A.Novikov, B.T.Wimberly, J.S.Kieft, M.T.Falta, N.A.Bowerman, P.Marrack, A.P.Fontenot, S.Dai, J.W.Kappler. Structural Basis of Chronic Beryllium Disease: Linking Allergic Hypersensitivity and Autoimmunity. Cell V. 158 132 2014.
ISSN: ISSN 1097-4172
PubMed: 24995984
DOI: 10.1016/J.CELL.2014.04.048