Calcium in PDB 2wob: 3B' Carbohydrate-Binding Module From the CEL9V Glycoside Hydrolase From Clostridium Thermocellum. Orthorhombic Structure

The structure of 3B' Carbohydrate-Binding Module From the CEL9V Glycoside Hydrolase From Clostridium Thermocellum. Orthorhombic Structure, PDB code: 2wob was solved by S.Petkun, S.Jindou, L.J.W.Shimon, E.A.Bayer, R.Lamed, F.Frolow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	121.18 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	57.029, 86.611, 242.370, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 21.4

The binding sites of Calcium atom in the 3B' Carbohydrate-Binding Module From the CEL9V Glycoside Hydrolase From Clostridium Thermocellum. Orthorhombic Structure (pdb code 2wob). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the 3B' Carbohydrate-Binding Module From the CEL9V Glycoside Hydrolase From Clostridium Thermocellum. Orthorhombic Structure, PDB code: 2wob:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the 3B' Carbohydrate-Binding Module From the CEL9V Glycoside Hydrolase From Clostridium Thermocellum. Orthorhombic Structure


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 3B' Carbohydrate-Binding Module From the CEL9V Glycoside Hydrolase From Clostridium Thermocellum. Orthorhombic Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1161 b:37.0 occ:1.00 OD1 A:ASP128 2.3 29.2 1.0 O A:ASP125 2.4 22.6 1.0 OG1 A:THR55 2.4 31.8 1.0 O A:THR55 2.5 23.8 1.0 OD1 A:ASP129 2.5 20.2 1.0 OD2 A:ASP57 2.6 29.8 1.0 OD1 A:ASP57 2.7 32.0 1.0 O A:HOH2083 2.8 24.9 1.0 CG A:ASP57 3.0 30.0 1.0 CG A:ASP128 3.4 32.3 1.0 C A:THR55 3.5 25.5 1.0 CG A:ASP129 3.5 27.9 1.0 C A:ASP125 3.5 19.3 1.0 CB A:THR55 3.7 32.7 1.0 OD2 A:ASP129 3.8 27.6 1.0 CA A:THR55 3.8 23.2 1.0 OD2 A:ASP128 3.9 39.2 1.0 N A:THR55 3.9 21.2 1.0 N A:ASP125 4.2 20.4 1.0 CA A:ASP125 4.3 20.7 1.0 N A:GLN126 4.4 17.6 1.0 N A:ASP129 4.4 25.5 1.0 CB A:ASP57 4.4 33.0 1.0 CA A:GLN126 4.5 20.1 1.0 C A:ASP128 4.5 25.7 1.0 CB A:ASP125 4.5 23.3 1.0 N A:SER56 4.6 24.0 1.0 CB A:ASP128 4.7 26.0 1.0 N A:ASP57 4.7 26.3 1.0 N A:ASP128 4.7 22.8 1.0 CB A:ASP129 4.7 24.0 1.0 CG2 A:THR55 4.7 26.3 1.0 CA A:ASP128 4.8 23.4 1.0 CA A:ASP129 4.9 24.6 1.0 O A:ASP128 4.9 26.1 1.0 C A:GLN126 4.9 18.9 1.0

Calcium binding site 2 out of 3 in the 3B' Carbohydrate-Binding Module From the CEL9V Glycoside Hydrolase From Clostridium Thermocellum. Orthorhombic Structure


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of 3B' Carbohydrate-Binding Module From the CEL9V Glycoside Hydrolase From Clostridium Thermocellum. Orthorhombic Structure within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1161 b:35.3 occ:1.00 O C:ASP125 2.3 28.1 1.0 OD1 C:ASP129 2.3 18.9 1.0 O C:THR55 2.5 19.8 1.0 OD1 C:ASP128 2.5 28.2 1.0 O C:HOH2069 2.6 23.7 1.0 OD2 C:ASP57 2.6 27.3 1.0 OG1 C:THR55 2.6 26.1 1.0 OD1 C:ASP57 2.8 30.9 1.0 CG C:ASP57 3.1 30.6 1.0 CG C:ASP129 3.3 26.6 1.0 C C:THR55 3.5 22.9 1.0 C C:ASP125 3.5 24.4 1.0 CG C:ASP128 3.5 35.1 1.0 OD2 C:ASP129 3.7 24.0 1.0 CB C:THR55 3.8 26.8 1.0 OD2 C:ASP128 3.9 38.2 1.0 N C:THR55 3.9 22.0 1.0 CA C:THR55 3.9 22.9 1.0 N C:ASP125 4.2 26.0 1.0 CA C:ASP125 4.3 23.6 1.0 N C:GLN126 4.4 19.2 1.0 CA C:GLN126 4.4 19.7 1.0 CB C:ASP125 4.5 24.2 1.0 CB C:ASP57 4.5 32.9 1.0 N C:ASP129 4.6 26.2 1.0 N C:SER56 4.6 19.9 1.0 C C:ASP128 4.6 28.3 1.0 CB C:ASP129 4.6 22.9 1.0 N C:ASP57 4.7 28.6 1.0 CA C:ASP129 4.8 26.8 1.0 CB C:ASP128 4.8 22.3 1.0 N C:ASP128 4.8 24.6 1.0 C C:GLN126 4.9 21.8 1.0 O C:ASP128 4.9 29.1 1.0 CG2 C:THR55 5.0 19.8 1.0 C C:SER56 5.0 28.1 1.0 CA C:ASP128 5.0 28.1 1.0

Calcium binding site 3 out of 3 in the 3B' Carbohydrate-Binding Module From the CEL9V Glycoside Hydrolase From Clostridium Thermocellum. Orthorhombic Structure


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of 3B' Carbohydrate-Binding Module From the CEL9V Glycoside Hydrolase From Clostridium Thermocellum. Orthorhombic Structure within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca1161 b:57.7 occ:1.00 OD1 E:ASP129 2.5 30.4 1.0 O E:HOH2059 2.5 32.8 1.0 O E:ASP125 2.5 33.8 1.0 OD2 E:ASP57 2.5 34.2 1.0 OG1 E:THR55 2.6 29.9 1.0 O E:THR55 2.6 32.2 1.0 OD1 E:ASP57 3.1 37.2 1.0 CG E:ASP57 3.2 38.9 1.0 OD2 E:ASP128 3.4 47.0 1.0 CG E:ASP129 3.4 29.4 1.0 C E:ASP125 3.4 27.8 1.0 C E:THR55 3.5 32.2 1.0 OD2 E:ASP129 3.7 30.1 1.0 CB E:THR55 3.7 33.1 1.0 N E:THR55 3.8 30.1 1.0 CA E:THR55 3.8 30.9 1.0 N E:ASP125 4.0 32.1 1.0 CA E:ASP125 4.2 29.6 1.0 N E:GLN126 4.2 26.7 1.0 CG E:ASP128 4.3 53.8 1.0 CA E:GLN126 4.3 24.3 1.0 OD1 E:ASP128 4.4 62.7 1.0 CB E:ASP125 4.5 26.9 1.0 CB E:ASP57 4.6 36.9 1.0 N E:SER56 4.6 28.6 1.0 N E:ASP129 4.7 35.2 1.0 CB E:ASP129 4.7 26.5 1.0 CG2 E:THR55 4.9 30.3 1.0 C E:GLN126 4.9 30.0 1.0 N E:ASP57 4.9 36.1 1.0 CD2 E:TYR124 4.9 28.7 1.0 C E:TYR124 5.0 34.7 1.0 CB E:TYR124 5.0 32.0 1.0 CA E:ASP129 5.0 31.9 1.0

S.Petkun, S.Jindou, L.J.W.Shimon, E.A.Bayer, R.Lamed, F.Frolow. Structure of A Family 3B' Carbohydrate-Binding Module From the CEL9V Glycoside Hydrolase From Clostridium Thermocellum: Structural Diversity and Implications For Carbohydrate Binding Acta Crystallogr.,Sect.D V. 66 33 2010.
ISSN: ISSN 0907-4449
PubMed: 20057047
DOI: 10.1107/S0907444909043030