Calcium in PDB 1of3: Structural and Thermodynamic Dissection of Specific Mannan Recognition By A Carbohydrate-Binding Module, TMCBM27

The structure of Structural and Thermodynamic Dissection of Specific Mannan Recognition By A Carbohydrate-Binding Module, TMCBM27, PDB code: 1of3 was solved by A.B.Boraston, T.J.Revett, C.M.Boraston, D.Nurizzo, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.0
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	69.078, 69.078, 229.474, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 22.5

The binding sites of Calcium atom in the Structural and Thermodynamic Dissection of Specific Mannan Recognition By A Carbohydrate-Binding Module, TMCBM27 (pdb code 1of3). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structural and Thermodynamic Dissection of Specific Mannan Recognition By A Carbohydrate-Binding Module, TMCBM27, PDB code: 1of3:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structural and Thermodynamic Dissection of Specific Mannan Recognition By A Carbohydrate-Binding Module, TMCBM27


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structural and Thermodynamic Dissection of Specific Mannan Recognition By A Carbohydrate-Binding Module, TMCBM27 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1174 b:28.0 occ:1.00 O A:GLY46 2.3 20.5 1.0 O A:ASP12 2.3 22.0 1.0 O A:HOH2148 2.4 20.2 1.0 O A:GLY44 2.5 25.7 1.0 OD1 A:ASP165 2.6 19.0 1.0 OD2 A:ASP165 2.6 22.1 1.0 O A:HOH2056 2.6 26.3 1.0 CG A:ASP165 3.0 19.2 1.0 C A:ASP12 3.5 22.1 1.0 C A:GLY46 3.5 20.8 1.0 C A:GLY44 3.6 26.8 1.0 C A:ASN45 4.1 27.8 1.0 O A:ASN45 4.1 28.1 1.0 CA A:ASP12 4.1 22.9 1.0 N A:GLY46 4.1 25.0 1.0 CB A:ASP12 4.2 23.4 1.0 CA A:GLY46 4.2 22.6 1.0 OD1 A:ASN166 4.3 21.9 1.0 CA A:GLY44 4.3 25.9 1.0 CB A:ASP165 4.4 18.0 1.0 N A:ALA47 4.5 19.8 1.0 N A:PHE13 4.5 20.9 1.0 O A:HOH2079 4.6 28.6 1.0 N A:ASN45 4.6 26.5 1.0 CB A:PHE13 4.6 20.7 1.0 C A:PHE13 4.7 23.0 1.0 CA A:ALA47 4.7 19.7 1.0 CA A:ASN45 4.8 27.6 1.0 CA A:PHE13 4.8 21.4 1.0 O A:PHE13 4.9 21.7 1.0 O A:VAL43 4.9 22.3 1.0 N A:SER14 4.9 24.9 1.0 CG A:ASP12 5.0 27.8 1.0

Calcium binding site 2 out of 2 in the Structural and Thermodynamic Dissection of Specific Mannan Recognition By A Carbohydrate-Binding Module, TMCBM27


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structural and Thermodynamic Dissection of Specific Mannan Recognition By A Carbohydrate-Binding Module, TMCBM27 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1174 b:28.9 occ:1.00 O B:ASP12 2.3 19.1 1.0 O B:HOH2127 2.4 19.4 1.0 O B:GLY46 2.4 15.3 1.0 O B:GLY44 2.5 17.9 1.0 OD1 B:ASP165 2.5 17.9 1.0 O B:HOH2048 2.6 19.6 1.0 OD2 B:ASP165 2.7 22.4 1.0 CG B:ASP165 3.0 18.9 1.0 C B:ASP12 3.5 19.0 1.0 C B:GLY44 3.6 19.9 1.0 C B:GLY46 3.6 16.3 1.0 O B:HOH2125 4.1 38.0 1.0 CA B:GLY44 4.1 18.7 1.0 CA B:ASP12 4.2 19.5 1.0 CB B:ASP12 4.2 20.5 1.0 C B:ASN45 4.2 18.7 1.0 O B:ASN45 4.3 19.2 1.0 CA B:GLY46 4.3 15.9 1.0 N B:GLY46 4.3 17.3 1.0 OD1 B:ASN166 4.3 20.7 1.0 CB B:ASP165 4.5 16.1 1.0 N B:PHE13 4.5 18.1 1.0 CB B:PHE13 4.6 18.0 1.0 N B:ALA47 4.6 15.4 1.0 N B:ASN45 4.6 19.1 1.0 C B:PHE13 4.7 20.0 1.0 CA B:ALA47 4.8 16.7 1.0 O B:PHE13 4.8 19.1 1.0 CG B:ASP12 4.8 24.5 1.0 CA B:PHE13 4.8 19.2 1.0 CA B:ASN45 4.9 19.2 1.0

A.B.Boraston, T.J.Revett, C.M.Boraston, D.Nurizzo, G.J.Davies. Structural and Thermodynamic Dissection of Specific Mannan Recognition By A Carbohydrate Binding Module, TMCBM27 Structure V. 11 665 2003.
ISSN: ISSN 0969-2126
PubMed: 12791255
DOI: 10.1016/S0969-2126(03)00100-X