Calcium in PDB 2vpt: Clostridium Thermocellum Family 3 Carbohydrate Esterase

All present enzymatic activity of Clostridium Thermocellum Family 3 Carbohydrate Esterase:
3.1.1.72;

The structure of Clostridium Thermocellum Family 3 Carbohydrate Esterase, PDB code: 2vpt was solved by M.A.S.Correia, J.A.M.Prates, J.Bras, C.M.G.A.Fontes, J.A.Newman, R.J.Lewis, H.J.Gilbert, J.E.Flint, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.14 / 1.40
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	77.977, 77.977, 66.800, 90.00, 90.00, 120.00
R / Rfree (%)	15.353 / 17.579

The binding sites of Calcium atom in the Clostridium Thermocellum Family 3 Carbohydrate Esterase (pdb code 2vpt). 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 Clostridium Thermocellum Family 3 Carbohydrate Esterase, PDB code: 2vpt:

Calcium binding site 1 out of 1 in the Clostridium Thermocellum Family 3 Carbohydrate Esterase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Clostridium Thermocellum Family 3 Carbohydrate Esterase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1235 b:13.5 occ:1.00 O A:PHE74 2.3 11.4 1.0 O A:HOH2082 2.3 18.6 1.0 OD1 A:ASP73 2.3 14.2 1.0 OD2 A:ASP89 2.4 14.7 1.0 O A:HOH2088 2.4 18.7 1.0 OD1 A:ASP87 2.5 12.8 1.0 OD2 A:ASP87 2.5 12.8 1.0 CG A:ASP87 2.8 11.8 1.0 C A:PHE74 3.5 11.1 1.0 CG A:ASP89 3.5 10.9 1.0 CG A:ASP73 3.6 14.0 1.0 N A:PHE74 3.9 11.4 1.0 CB A:ASP89 3.9 9.9 1.0 CA A:PHE74 4.2 11.0 1.0 CB A:ASP87 4.3 10.9 1.0 C A:ASP73 4.3 12.2 1.0 O A:HOH2052 4.3 28.3 1.0 OD2 A:ASP73 4.3 18.4 1.0 N A:VAL75 4.5 10.9 1.0 CA A:ASP73 4.5 12.5 1.0 O A:HOH2054 4.5 15.1 1.0 O A:HOH2080 4.5 43.5 1.0 O A:HOH2086 4.5 27.2 1.0 O A:HOH2063 4.6 45.4 1.0 OD1 A:ASP89 4.6 12.8 1.0 CB A:PHE74 4.6 10.3 1.0 CB A:ASP73 4.6 13.2 1.0 CA A:VAL75 4.7 11.6 1.0 CG1 A:VAL75 4.8 13.7 1.0 O A:HOH2081 4.8 20.1 1.0 N A:ASP89 4.9 9.5 1.0 CA A:ASP87 5.0 11.1 1.0

M.A.S.Correia, J.A.M.Prates, J.Bras, C.M.G.A.Fontes, J.A.Newman, R.J.Lewis, H.J.Gilbert, J.E.Flint. Crystal Structure of A Cellulosomal Family 3 Carbohydrate Esterase From Clostridium Thermocellum Provides Insights Into the Mechanism of Substrate Recognition J.Mol.Biol. V. 379 64 2008.
ISSN: ISSN 0022-2836
PubMed: 18436237
DOI: 10.1016/J.JMB.2008.03.037