Calcium in PDB 7sg1: XPA5 Tcr in Complex with Hla-DQ2-ALPHA1

The structure of XPA5 Tcr in Complex with Hla-DQ2-ALPHA1, PDB code: 7sg1 was solved by L.Ciacchi, C.Farenc, J.Petersen, H.H.Reid, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.42 / 3.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	137.602, 75.558, 216.804, 90, 103.76, 90
R / Rfree (%)	21.7 / 25.8

The binding sites of Calcium atom in the XPA5 Tcr in Complex with Hla-DQ2-ALPHA1 (pdb code 7sg1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the XPA5 Tcr in Complex with Hla-DQ2-ALPHA1, PDB code: 7sg1:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the XPA5 Tcr in Complex with Hla-DQ2-ALPHA1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of XPA5 Tcr in Complex with Hla-DQ2-ALPHA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:30.0 occ:1.00 OE2 A:GLU85 2.6 62.8 1.0 ND2 A:ASN111 2.6 77.7 1.0 OE2 F:GLU85 2.6 76.0 1.0 OE1 F:GLU85 3.2 103.4 1.0 CD F:GLU85 3.2 83.0 1.0 CD A:GLU85 3.5 96.1 1.0 CG A:ASN111 3.8 56.8 1.0 OE1 A:GLU85 3.9 98.6 1.0 OD1 A:ASN111 4.2 64.0 1.0 CG A:GLU85 4.6 70.0 1.0 CG F:GLU85 4.6 66.9 1.0 NH1 G:ARG34 4.8 91.7 1.0

Calcium binding site 2 out of 2 in the XPA5 Tcr in Complex with Hla-DQ2-ALPHA1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of XPA5 Tcr in Complex with Hla-DQ2-ALPHA1 within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca301 b:30.0 occ:1.00 OD1 E:ASP11 2.1 51.1 1.0 OG E:SER231 2.3 50.5 1.0 O E:ILE12 2.4 44.8 1.0 OD2 E:ASP234 2.4 53.9 1.0 OD1 E:ASP234 2.9 54.2 1.0 CG E:ASP234 3.0 49.2 1.0 CG E:ASP11 3.3 43.5 1.0 C E:ILE12 3.4 35.4 1.0 N E:ILE12 3.4 39.2 1.0 CB E:SER231 3.6 56.2 1.0 CA E:ILE12 3.9 34.9 1.0 OD2 E:ASP11 4.0 48.5 1.0 N E:SER231 4.1 44.0 1.0 CB E:ASP234 4.4 44.9 1.0 C E:ASP11 4.4 34.0 1.0 CA E:SER231 4.4 36.7 1.0 CB E:ASP11 4.4 33.6 1.0 CA E:ASP11 4.5 33.5 1.0 N E:CYS13 4.5 35.8 1.0 CB E:ILE12 4.5 35.0 1.0 SG E:CYS13 4.8 55.5 1.0 CA E:CYS13 4.8 45.4 1.0 N E:ASP234 4.8 64.5 1.0 C E:LEU230 5.0 36.0 1.0

L.Ciacchi, C.Farenc, J.Petersen, H.H.Reid, J.Rossjohn. XPA5 Tcr in Complex with Hla-DQ2-ALPHA1 To Be Published.