Calcium in PDB 4doe: The Liganded Structure of Cbescii Cela GH9 Module

All present enzymatic activity of The Liganded Structure of Cbescii Cela GH9 Module:
3.2.1.4;

The structure of The Liganded Structure of Cbescii Cela GH9 Module, PDB code: 4doe 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)	25.62 / 1.56
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	147.931, 147.931, 59.098, 90.00, 90.00, 120.00
R / Rfree (%)	14.8 / 17.5

The binding sites of Calcium atom in the The Liganded Structure of Cbescii Cela GH9 Module (pdb code 4doe). 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 Liganded Structure of Cbescii Cela GH9 Module, PDB code: 4doe:

Calcium binding site 1 out of 1 in the The Liganded Structure of Cbescii Cela GH9 Module


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Liganded Structure of Cbescii Cela GH9 Module within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:9.2 occ:1.00 O A:GLY232 2.3 10.8 1.0 O A:ASP282 2.4 9.0 1.0 O A:HOH726 2.4 9.6 1.0 OD1 A:ASP235 2.5 11.2 1.0 OD2 A:ASP235 2.5 9.3 1.0 OE1 A:GLU236 2.5 8.8 1.0 OG A:SER231 2.5 10.5 1.0 OE2 A:GLU236 2.5 7.8 1.0 CG A:ASP235 2.8 9.6 1.0 CD A:GLU236 2.8 9.7 1.0 C A:GLY232 3.6 11.8 1.0 C A:ASP282 3.6 8.5 1.0 CB A:SER231 3.8 11.6 1.0 N A:GLY232 4.2 11.5 1.0 CA A:ASP283 4.2 7.8 1.0 C A:SER231 4.2 12.2 1.0 N A:ASP283 4.3 8.3 1.0 CB A:ASP235 4.3 9.0 1.0 CG A:GLU236 4.3 8.8 1.0 CG2 A:THR173 4.4 6.8 1.0 CA A:GLY232 4.5 12.0 1.0 OD1 A:ASP282 4.5 9.5 1.0 N A:PHE233 4.5 10.6 1.0 CA A:SER231 4.5 11.2 1.0 OD2 A:ASP282 4.5 11.6 1.0 CA A:PHE233 4.6 10.3 1.0 CG A:ASP282 4.6 9.9 1.0 N A:GLU236 4.6 8.3 1.0 CA A:ASP282 4.6 8.1 1.0 O A:HOH770 4.6 15.5 1.0 OG A:SER229 4.7 9.1 1.0 O A:SER231 4.7 15.2 1.0 N A:SER231 4.7 10.8 1.0 N A:ASP235 4.9 8.6 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: ISSN 0036-8075
PubMed: 24357319
DOI: 10.1126/SCIENCE.1244273