Calcium in PDB 5cvy: The Structure of Bacillus Pumilus GH48 in Complex with Cellobiose and Cellohexaose

The structure of The Structure of Bacillus Pumilus GH48 in Complex with Cellobiose and Cellohexaose, PDB code: 5cvy was solved by P.M.Alahuhta, V.V.Lunin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	98.041, 98.041, 218.956, 90.00, 90.00, 90.00
R / Rfree (%)	14.6 / 18.9

The structure of The Structure of Bacillus Pumilus GH48 in Complex with Cellobiose and Cellohexaose also contains other interesting chemical elements:

Sodium

(Na)

15 atoms

The binding sites of Calcium atom in the The Structure of Bacillus Pumilus GH48 in Complex with Cellobiose and Cellohexaose (pdb code 5cvy). 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 The Structure of Bacillus Pumilus GH48 in Complex with Cellobiose and Cellohexaose, PDB code: 5cvy:

Calcium binding site 1 out of 1 in the The Structure of Bacillus Pumilus GH48 in Complex with Cellobiose and Cellohexaose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Structure of Bacillus Pumilus GH48 in Complex with Cellobiose and Cellohexaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca801 b:25.1 occ:1.00 O A:HOH1332 2.3 20.6 1.0 OD2 A:ASP405 2.3 11.2 1.0 O A:GLN181 2.4 12.2 1.0 OE1 A:GLN181 2.4 11.9 1.0 OE2 A:GLU186 2.5 11.1 1.0 OE1 A:GLU186 2.7 12.2 1.0 O A:HOH1472 2.9 25.7 1.0 CD A:GLU186 2.9 10.7 1.0 CG A:ASP405 3.4 12.4 1.0 C A:GLN181 3.5 10.9 1.0 CD A:GLN181 3.6 11.7 1.0 CB A:ASP405 3.8 12.6 1.0 CB A:GLN181 3.9 10.4 1.0 CA A:GLN181 3.9 10.6 1.0 O A:HOH1539 4.0 18.4 0.5 NH1 A:ARG597 4.1 11.4 1.0 O A:HOH1447 4.1 30.6 1.0 N A:SER183 4.2 8.4 1.0 O A:HOH1539 4.2 26.9 0.5 CG A:GLN181 4.3 11.0 1.0 CG A:GLU186 4.4 9.9 1.0 OD1 A:ASP405 4.5 11.6 1.0 N A:GLU182 4.6 9.7 1.0 NE2 A:GLN181 4.6 12.0 1.0 CB A:SER183 4.6 8.7 1.0 OG A:SER183 4.7 9.1 1.0 OE1 A:GLU602 4.7 19.0 1.0 CA A:GLU182 4.8 9.8 1.0 C A:GLU182 5.0 9.5 1.0

R.Brunecky, M.Alahuhta, D.W.Sammond, Q.Xu, M.Chen, D.B.Wilson, J.W.Brady, M.E.Himmel, Y.J.Bomble, V.V.Lunin. Natural Diversity of Glycoside Hydrolase Family 48 Exoglucanases: Insights From Structure. Biotechnol Biofuels V. 10 274 2017.
ISSN: ESSN 1754-6834
PubMed: 29213319
DOI: 10.1186/S13068-017-0951-5