Calcium in PDB 4xnk: X-Ray Structure of ALGE1

The structure of X-Ray Structure of ALGE1, PDB code: 4xnk was solved by P.Ma, C.Y.Huang, V.Olieric, K.Diederichs, M.Wang, M.Caffrey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.42 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.010, 74.340, 184.690, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 27.4

The structure of X-Ray Structure of ALGE1 also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Calcium atom in the X-Ray Structure of ALGE1 (pdb code 4xnk). 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 X-Ray Structure of ALGE1, PDB code: 4xnk:

Calcium binding site 1 out of 1 in the X-Ray Structure of ALGE1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of ALGE1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca507 b:51.2 occ:1.00 O A:ALA61 2.2 53.1 1.0 OD1 A:ASP55 2.4 60.0 1.0 O A:GLY63 2.4 55.8 1.0 OD2 A:ASP55 2.5 70.3 1.0 OD2 A:ASP57 2.6 48.3 1.0 OD1 A:ASP57 2.7 48.8 1.0 CG A:ASP55 2.8 61.3 1.0 CG A:ASP57 3.0 47.3 1.0 C A:ALA61 3.4 52.6 1.0 C A:GLY63 3.5 55.7 1.0 N A:GLY63 3.8 49.9 1.0 C A:PRO62 4.0 52.0 1.0 N A:ALA61 4.1 48.2 1.0 CA A:PRO62 4.2 48.2 1.0 CB A:ASP55 4.3 53.9 1.0 N A:PRO62 4.3 48.9 1.0 CA A:GLY63 4.3 50.5 1.0 CA A:ALA61 4.3 48.0 1.0 O A:PRO62 4.5 51.2 1.0 CB A:ASP57 4.5 43.3 1.0 N A:GLY64 4.6 51.9 1.0 CA A:GLY59 4.6 45.4 1.0 N A:GLY59 4.7 45.1 1.0 CA A:GLY64 4.8 51.4 1.0 N A:THR60 4.8 47.4 1.0 C A:GLY59 5.0 50.9 1.0

C.Y.Huang, V.Olieric, P.Ma, E.Panepucci, K.Diederichs, M.Wang, M.Caffrey. In Meso in Situ Serial X-Ray Crystallography of Soluble and Membrane Proteins. Acta Crystallogr.,Sect.D V. 71 1238 2015.
ISSN: ESSN 1399-0047
PubMed: 26057665
DOI: 10.1107/S1399004715005210