Manganese 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:

Calcium

(Ca)

2 atoms

The binding sites of Manganese 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 Manganese atom.
In total 2 binding sites of Manganese where determined in the Pterocarpus Angolensis Lectin in Complex with the Trisaccharide Glcnac(B1-2)Man(A1-3)Man, PDB code: 2auy:
Jump to Manganese binding site number: 1; 2;

Manganese 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 Manganese with other atoms in the Mn 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:Mn271 b:20.0 occ:1.00 O A:HOH305 2.2 17.7 1.0 OD1 A:ASP141 2.2 19.1 1.0 OE1 A:GLU128 2.2 20.1 1.0 OD2 A:ASP130 2.3 24.2 1.0 O A:HOH306 2.3 19.5 1.0 NE2 A:HIS146 2.3 20.7 1.0 CG A:ASP141 3.1 18.8 1.0 CD A:GLU128 3.2 22.4 1.0 CG A:ASP130 3.2 20.5 1.0 CE1 A:HIS146 3.3 20.0 1.0 CD2 A:HIS146 3.4 20.0 1.0 OE2 A:GLU128 3.5 22.4 1.0 OD2 A:ASP141 3.5 23.8 1.0 CB A:ASP130 3.6 20.9 1.0 O A:HOH304 3.9 20.8 1.0 CA A:CA273 4.2 20.3 1.0 OD1 A:ASP130 4.3 22.4 1.0 OG A:SER156 4.3 24.2 1.0 CB A:ASP141 4.3 22.4 1.0 ND1 A:HIS146 4.4 20.8 1.0 CG A:HIS146 4.5 19.7 1.0 CG A:GLU128 4.5 14.1 1.0 O A:HOH309 4.5 24.6 1.0 CD1 A:TRP140 4.5 21.0 1.0 O A:ILE154 4.5 21.1 1.0 NE1 A:TRP140 4.6 26.6 1.0 CA A:ASP141 4.8 27.9 1.0 CD A:PRO142 4.8 26.7 1.0

Manganese 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 Manganese with other atoms in the Mn 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:Mn272 b:20.2 occ:1.00 O B:HOH305 2.2 20.6 1.0 OE1 B:GLU128 2.2 15.1 1.0 OD1 B:ASP141 2.2 23.4 1.0 OD2 B:ASP130 2.3 20.9 1.0 NE2 B:HIS146 2.3 18.3 1.0 O B:HOH306 2.3 18.1 1.0 CG B:ASP141 3.2 20.2 1.0 CE1 B:HIS146 3.2 18.3 1.0 CG B:ASP130 3.2 19.9 1.0 CD B:GLU128 3.2 21.6 1.0 CD2 B:HIS146 3.3 19.9 1.0 OE2 B:GLU128 3.5 20.4 1.0 CB B:ASP130 3.5 21.3 1.0 OD2 B:ASP141 3.6 22.1 1.0 O B:HOH304 3.9 22.1 1.0 CA B:CA274 4.2 22.3 1.0 OG B:SER156 4.3 18.0 1.0 OD1 B:ASP130 4.3 21.9 1.0 ND1 B:HIS146 4.3 18.5 1.0 CB B:ASP141 4.3 23.3 1.0 CG B:HIS146 4.4 18.7 1.0 NE1 B:TRP140 4.5 27.2 1.0 CD1 B:TRP140 4.6 26.2 1.0 CG B:GLU128 4.6 20.4 1.0 O B:ILE154 4.6 22.3 1.0 O B:HOH309 4.6 27.2 1.0 CA B:ASP141 4.8 24.1 1.0 CD B:PRO142 4.9 29.2 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