Calcium in PDB 2xqo: CTCEL124: A Cellulase From Clostridium Thermocellum

The structure of CTCEL124: A Cellulase From Clostridium Thermocellum, PDB code: 2xqo was solved by A.L.Carvalho, G.Verze, J.L.A.Bras, A.Cartmell, E.A.Bayer, Y.Vazana, M.A.S.Correia, J.A.M.Prates, H.J.Gilbert, C.M.G.A.Fontes, M.J.Romao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.05 / 1.40
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	74.010, 74.010, 74.930, 90.00, 90.00, 120.00
R / Rfree (%)	17.466 / 20.421

The binding sites of Calcium atom in the CTCEL124: A Cellulase From Clostridium Thermocellum (pdb code 2xqo). 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 CTCEL124: A Cellulase From Clostridium Thermocellum, PDB code: 2xqo:

Calcium binding site 1 out of 1 in the CTCEL124: A Cellulase From Clostridium Thermocellum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of CTCEL124: A Cellulase From Clostridium Thermocellum within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1246 b:22.0 occ:1.00 OE1 A:GLN65 2.1 19.4 1.0 ND1 A:HIS157 2.2 16.3 1.0 OD1 A:ASP34 2.2 31.5 1.0 NE2 A:HIS69 2.3 27.2 1.0 O A:HOH2004 2.3 31.9 1.0 O A:HOH2061 2.3 33.8 1.0 CE1 A:HIS157 2.9 24.3 1.0 CD A:GLN65 2.9 21.7 1.0 NE2 A:GLN65 3.1 25.4 1.0 CD2 A:HIS69 3.2 20.7 1.0 CG A:ASP34 3.2 25.5 1.0 CE1 A:HIS69 3.3 22.9 1.0 CG A:HIS157 3.4 14.4 1.0 OD2 A:ASP34 3.5 21.8 1.0 CB A:HIS157 3.9 15.8 1.0 OE1 A:GLU68 4.0 39.4 1.0 NE2 A:HIS157 4.1 18.0 1.0 CD2 A:HIS157 4.3 17.0 1.0 CG A:HIS69 4.3 20.3 1.0 ND1 A:HIS69 4.4 20.2 1.0 CG A:GLN65 4.4 18.6 1.0 CB A:ASP34 4.4 24.8 1.0 O A:HOH2166 4.6 25.4 1.0 CE A:MSE139 4.7 18.9 1.0 CA A:HIS157 4.7 14.7 1.0 CB A:GLU68 4.7 23.8 1.0 CB A:GLN65 4.9 15.5 1.0 CA A:GLN65 5.0 15.4 1.0

J.L.A.Bras, A.Cartmell, A.L.Carvalho, G.Verze, E.A.Bayer, Y.Vazana, M.A.S.Correia, J.A.M.Prates, M.J.Romao, H.J.Gilbert, C.M.G.A.Fontes. Structural Insights Into A Unique Cellulase Fold and Mechanism of Cellulose Hydrolysis Proc.Natl.Acad.Sci.Usa V. 108 5237 2011.
ISSN: ISSN 0027-8424
PubMed: 21393568
DOI: 10.1073/PNAS.1015006108