Calcium in PDB 2auy: Pterocarpus Angolensis Lectin in Complex with the Trisaccharide Glcnac(B1-2)Man(A1-3)Man

The structure of Pterocarpus Angolensis Lectin in Complex with the Trisaccharide Glcnac(B1-2)Man(A1-3)Man, PDB code: 2auy was solved by L.Buts, A.Garcia-Pino, A.Imberty, N.Amiot, G.-J.Boons, S.Beeckmans, W.Versees, L.Wyns, R.Loris, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.800, 83.140, 123.020, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 19.3

The structure of Pterocarpus Angolensis Lectin in Complex with the Trisaccharide Glcnac(B1-2)Man(A1-3)Man also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Calcium atom in the Pterocarpus Angolensis Lectin in Complex with the Trisaccharide Glcnac(B1-2)Man(A1-3)Man (pdb code 2auy). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Pterocarpus Angolensis Lectin in Complex with the Trisaccharide Glcnac(B1-2)Man(A1-3)Man, PDB code: 2auy:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Pterocarpus Angolensis Lectin in Complex with the Trisaccharide Glcnac(B1-2)Man(A1-3)Man


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Pterocarpus Angolensis Lectin in Complex with the Trisaccharide Glcnac(B1-2)Man(A1-3)Man within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca273 b:20.3 occ:1.00 OD2 A:ASP141 2.2 23.8 1.0 O A:PHE132 2.4 19.4 1.0 OD1 A:ASN138 2.4 25.6 1.0 O A:HOH303 2.4 21.1 1.0 OD1 A:ASP130 2.4 22.4 1.0 OD2 A:ASP130 2.5 24.2 1.0 O A:HOH304 2.5 20.8 1.0 CG A:ASP130 2.8 20.5 1.0 CG A:ASP141 3.4 18.8 1.0 CG A:ASN138 3.5 29.6 1.0 C A:PHE132 3.6 22.3 1.0 OD1 A:ASP141 3.9 19.1 1.0 CB A:ASN138 4.0 20.8 1.0 MN A:MN271 4.2 20.0 1.0 CB A:ASP130 4.3 20.9 1.0 NE1 A:TRP140 4.4 26.6 1.0 CA A:PHE132 4.5 23.3 1.0 N A:PHE132 4.5 23.1 1.0 N A:TYR133 4.5 23.4 1.0 O A:HOH306 4.5 19.5 1.0 CA A:TYR133 4.5 23.4 1.0 CB A:ASP141 4.6 22.4 1.0 O A:GLY106 4.6 23.2 1.0 ND2 A:ASN138 4.6 26.1 1.0 CA A:GLY106 4.6 25.9 1.0 CB A:PHE132 4.7 22.1 1.0 O A:ASP86 4.8 19.4 1.0 OD1 A:ASP86 4.8 23.8 1.0 CE1 A:HIS146 4.9 20.0 1.0

Calcium binding site 2 out of 2 in the Pterocarpus Angolensis Lectin in Complex with the Trisaccharide Glcnac(B1-2)Man(A1-3)Man


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Pterocarpus Angolensis Lectin in Complex with the Trisaccharide Glcnac(B1-2)Man(A1-3)Man within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca274 b:22.3 occ:1.00 OD2 B:ASP141 2.3 22.1 1.0 O B:PHE132 2.3 24.4 1.0 O B:HOH303 2.4 22.1 1.0 OD1 B:ASN138 2.4 25.6 1.0 O B:HOH304 2.4 22.1 1.0 OD2 B:ASP130 2.5 20.9 1.0 OD1 B:ASP130 2.5 21.9 1.0 CG B:ASP130 2.8 19.9 1.0 CG B:ASP141 3.4 20.2 1.0 CG B:ASN138 3.5 31.9 1.0 C B:PHE132 3.5 26.5 1.0 OD1 B:ASP141 3.9 23.4 1.0 CB B:ASN138 4.0 26.9 1.0 MN B:MN272 4.2 20.2 1.0 CB B:ASP130 4.3 21.3 1.0 CA B:PHE132 4.4 23.5 1.0 NE1 B:TRP140 4.4 27.2 1.0 N B:PHE132 4.4 21.1 1.0 N B:TYR133 4.5 24.2 1.0 CB B:PHE132 4.5 21.9 1.0 O B:HOH305 4.5 20.6 1.0 CA B:TYR133 4.6 26.7 1.0 CB B:ASP141 4.6 23.3 1.0 O B:GLY106 4.6 26.0 1.0 CA B:GLY106 4.6 21.3 1.0 ND2 B:ASN138 4.7 25.0 1.0 O B:ASP86 4.7 19.4 1.0 OD1 B:ASP86 4.8 21.7 1.0 CE1 B:HIS146 4.9 18.3 1.0

L.Buts, A.Garcia-Pino, A.Imberty, N.Amiot, G.-J.Boons, S.Beeckmans, W.Versees, L.Wyns, R.Loris. Structural Basis For the Recognition of Complex-Type Biantennary Oligosaccharides By Pterocarpus Angolensis Lectin. Febs J. V. 273 2407 2006.
ISSN: ISSN 1742-464X
PubMed: 16704415
DOI: 10.1111/J.1742-4658.2006.05248.X