Calcium in PDB 2x49: Crystal Structure of the C-Terminal Domain of Inva

The structure of Crystal Structure of the C-Terminal Domain of Inva, PDB code: 2x49 was solved by L.J.Worrall, M.Vuckovic, N.C.J.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.51 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.991, 57.413, 113.870, 90.00, 90.00, 90.00
R / Rfree (%)	19.18 / 22.516

The structure of Crystal Structure of the C-Terminal Domain of Inva also contains other interesting chemical elements:

Mercury

(Hg)

3 atoms

The binding sites of Calcium atom in the Crystal Structure of the C-Terminal Domain of Inva (pdb code 2x49). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the C-Terminal Domain of Inva, PDB code: 2x49:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the C-Terminal Domain of Inva


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 the C-Terminal Domain of Inva within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1689 b:45.1 occ:1.00 OE1 A:GLU463 2.5 19.4 1.0 O A:HOH2091 2.7 23.3 1.0 O A:ASN445 2.9 19.0 1.0 CD A:GLU463 3.4 19.2 1.0 OE2 A:GLU463 3.5 21.8 1.0 O A:HOH2108 3.6 24.1 1.0 C A:ASN445 3.8 18.9 1.0 N A:THR460 4.1 16.6 1.0 CA A:VAL459 4.1 17.5 1.0 CA A:PRO446 4.1 17.5 1.0 O A:HOH2107 4.2 35.7 1.0 CG2 A:THR460 4.2 15.2 1.0 CG2 A:ILE444 4.3 19.4 1.0 O A:TRP458 4.3 19.1 1.0 N A:PRO446 4.4 17.7 1.0 CB A:VAL459 4.5 17.9 1.0 C A:VAL459 4.6 17.3 1.0 C A:PRO446 4.6 16.5 1.0 CG1 A:VAL459 4.6 18.9 1.0 N A:THR447 4.7 16.7 1.0 N A:ASN445 4.7 19.8 1.0 CG A:GLU463 4.8 18.6 1.0 CA A:ASN445 4.9 19.9 1.0 OG1 A:THR447 4.9 19.7 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the C-Terminal Domain of Inva


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 the C-Terminal Domain of Inva within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1690 b:44.1 occ:1.00 OD2 A:ASP626 2.8 24.6 1.0 CG A:ASP626 3.8 21.0 1.0 O A:HOH2254 3.9 37.6 1.0 OD1 A:ASP626 4.0 28.0 1.0 O A:HOH2255 4.6 33.0 1.0 CB A:ALA622 4.7 16.3 1.0 O A:ALA622 5.0 17.1 1.0

L.J.Worrall, M.Vuckovic, N.C.J.Strynadka. Crystal Structure of the C-Terminal Domain of the Salmonella Type III Secretion System Export Apparatus Protein Inva. Protein Sci. V. 19 1091 2010.
ISSN: ISSN 0961-8368
PubMed: 20306492
DOI: 10.1002/PRO.382