Calcium in PDB 4el8: The Unliganded Structure of C.Bescii Cela GH48 Module

The structure of The Unliganded Structure of C.Bescii Cela GH48 Module, PDB code: 4el8 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)	51.81 / 2.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.300, 57.666, 106.060, 90.00, 102.30, 90.00
R / Rfree (%)	19.5 / 25.8

The binding sites of Calcium atom in the The Unliganded Structure of C.Bescii Cela GH48 Module (pdb code 4el8). 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 Unliganded Structure of C.Bescii Cela GH48 Module, PDB code: 4el8:

Calcium binding site 1 out of 1 in the The Unliganded Structure of C.Bescii Cela GH48 Module


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Unliganded Structure of C.Bescii Cela GH48 Module within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca701 b:56.0 occ:1.00 OE2 A:GLU187 2.2 20.5 1.0 O A:GLU182 2.2 24.9 1.0 OD2 A:ASP406 2.5 31.9 1.0 CD A:GLU187 3.0 20.9 1.0 OE1 A:GLU187 3.1 21.5 1.0 C A:GLU182 3.4 24.2 1.0 CG A:ASP406 3.5 31.1 1.0 OE1 A:GLU182 3.7 37.5 1.0 CB A:ASP406 3.7 29.7 1.0 CB A:GLU182 4.0 28.8 1.0 CA A:GLU182 4.0 25.9 1.0 N A:SER184 4.1 19.0 1.0 NH2 A:ARG553 4.2 29.8 1.0 CB A:SER184 4.3 18.6 1.0 OG A:SER184 4.4 18.1 1.0 N A:GLU183 4.5 21.8 1.0 CG A:GLU187 4.5 20.1 1.0 OD1 A:ASP406 4.7 30.9 1.0 CA A:GLU183 4.7 20.9 1.0 CD A:GLU182 4.7 35.2 1.0 CA A:SER184 4.8 19.4 1.0 C A:GLU183 4.9 20.4 1.0

R.Brunecky, M.Alahuhta, Q.Xu, B.S.Donohoe, M.F.Crowley, I.A.Kataeva, S.J.Yang, M.G.Resch, M.W.Adams, V.V.Lunin, M.E.Himmel, Y.J.Bomble. Revealing Nature'S Cellulase Diversity: the Digestion Mechanism of Caldicellulosiruptor Bescii Cela. Science V. 342 1513 2013.
ISSN: ESSN 1095-9203
PubMed: 24357319
DOI: 10.1126/SCIENCE.1244273