Calcium in PDB 1of4: 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: 1of4 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 / 1.6
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	31.913, 49.567, 96.922, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 20.6

The binding sites of Calcium atom in the Structural and Thermodynamic Dissection of Specific Mannan Recognition By A Carbohydrate-Binding Module, TMCBM27 (pdb code 1of4). 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 Structural and Thermodynamic Dissection of Specific Mannan Recognition By A Carbohydrate-Binding Module, TMCBM27, PDB code: 1of4:

Calcium binding site 1 out of 1 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:Ca1181 b:12.1 occ:1.00 O A:GLY46 2.3 11.4 1.0 O A:ASP12 2.3 11.1 1.0 O A:HOH2004 2.4 13.8 1.0 O A:HOH2094 2.4 14.9 1.0 O A:GLY44 2.4 13.7 1.0 OD2 A:ASP165 2.5 10.3 1.0 OD1 A:ASP165 2.5 10.1 1.0 CG A:ASP165 2.9 10.4 1.0 C A:ASP12 3.5 12.7 1.0 C A:GLY44 3.5 15.6 1.0 C A:GLY46 3.5 11.8 1.0 CA A:ASP12 4.1 13.3 1.0 CB A:ASP12 4.1 14.8 1.0 CA A:GLY44 4.2 14.8 1.0 C A:ASN45 4.2 17.4 1.0 CA A:GLY46 4.2 13.4 1.0 O A:ASN45 4.2 19.2 1.0 N A:GLY46 4.2 15.0 1.0 ND2 A:ASN45 4.3 32.3 1.0 OD1 A:ASN166 4.4 11.6 1.0 CB A:ASP165 4.4 8.9 1.0 O A:HOH2052 4.5 14.1 1.0 N A:ASN45 4.5 16.4 1.0 N A:ALA47 4.5 11.2 1.0 N A:PHE13 4.6 13.2 1.0 C A:PHE13 4.7 15.1 1.0 O A:PHE13 4.7 13.7 1.0 CB A:PHE13 4.8 12.6 1.0 CA A:ALA47 4.8 10.7 1.0 CA A:ASN45 4.8 18.9 1.0 CA A:PHE13 4.9 13.7 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