Calcium in PDB 2p5w: Crystal Structures of High Affinity Human T-Cell Receptors Bound to Pmhc Reveal Native Diagonal Binding Geometry

The structure of Crystal Structures of High Affinity Human T-Cell Receptors Bound to Pmhc Reveal Native Diagonal Binding Geometry, PDB code: 2p5w was solved by M.Sami, P.J.Rizkallah, S.Dunn, Y.Li, R.Moysey, A.Vuidepot, E.Baston, P.Todorov, P.Molloy, F.Gao, J.M.Boulter, B.K.Jakobsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.80 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	74.590, 52.325, 118.932, 90.00, 98.13, 90.00
R / Rfree (%)	16.5 / 24.5

The structure of Crystal Structures of High Affinity Human T-Cell Receptors Bound to Pmhc Reveal Native Diagonal Binding Geometry also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Calcium atom in the Crystal Structures of High Affinity Human T-Cell Receptors Bound to Pmhc Reveal Native Diagonal Binding Geometry (pdb code 2p5w). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structures of High Affinity Human T-Cell Receptors Bound to Pmhc Reveal Native Diagonal Binding Geometry, PDB code: 2p5w:

Calcium binding site 1 out of 1 in the Crystal Structures of High Affinity Human T-Cell Receptors Bound to Pmhc Reveal Native Diagonal Binding Geometry


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structures of High Affinity Human T-Cell Receptors Bound to Pmhc Reveal Native Diagonal Binding Geometry within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca701 b:44.9 occ:1.00 O B:HOH1027 2.3 28.9 1.0 O B:LEU87 2.4 25.6 1.0 O B:HIS84 2.6 9.0 1.0 OD1 B:ASN83 2.7 18.4 1.0 O B:HOH1093 3.5 29.2 1.0 C B:HIS84 3.5 13.5 1.0 C B:LEU87 3.6 18.8 1.0 CG B:ASN83 3.6 30.7 1.0 N B:HIS84 4.0 9.2 1.0 ND2 B:ASN83 4.1 34.6 1.0 CA B:VAL85 4.3 13.8 1.0 N B:VAL85 4.3 12.2 1.0 O B:HOH1062 4.3 27.4 1.0 CA B:HIS84 4.4 7.9 1.0 CA B:LEU87 4.5 14.2 1.0 N B:LEU87 4.5 10.0 1.0 C B:VAL85 4.6 14.8 1.0 CB B:LEU87 4.6 14.8 1.0 N B:SER88 4.6 14.6 1.0 CA B:SER88 4.7 9.1 1.0 O B:VAL85 4.7 12.2 1.0 C B:SER88 4.8 9.8 1.0 C B:ASN83 4.8 12.5 1.0 CB B:ASN83 4.8 18.3 1.0 O B:SER88 4.9 9.9 1.0 CA B:ASN83 5.0 15.4 1.0

M.Sami, P.J.Rizkallah, S.Dunn, P.Molloy, R.Moysey, A.Vuidepot, E.Baston, P.Todorov, L.Yi, F.Gao, J.M.Boulter, B.K.Jakobsen. Crystal Structures of High Affinity Human T-Cell Receptors Bound to Peptide Major Histocompatibility Complex Reveal Native Diagonal Binding Geometry Protein Eng.Des.Sel. V. 20 397 2007.
ISSN: ISSN 1741-0126
PubMed: 17644531
DOI: 10.1093/PROTEIN/GZM033