Manganese in PDB 1lu2: Dolichos Biflorus Seed Lectin in Complex with the Blood Group A Trisaccharide

The structure of Dolichos Biflorus Seed Lectin in Complex with the Blood Group A Trisaccharide, PDB code: 1lu2 was solved by T.W.Hamelryck, R.Loris, J.Bouckaert, G.Strecker, A.Imberty, E.Fernandez, L.Wyns, M.E.Etzler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	96.730, 108.000, 80.960, 90.00, 124.67, 90.00
R / Rfree (%)	19.1 / 21.9

The structure of Dolichos Biflorus Seed Lectin in Complex with the Blood Group A Trisaccharide also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Manganese atom in the Dolichos Biflorus Seed Lectin in Complex with the Blood Group A Trisaccharide (pdb code 1lu2). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Dolichos Biflorus Seed Lectin in Complex with the Blood Group A Trisaccharide, PDB code: 1lu2:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Dolichos Biflorus Seed Lectin in Complex with the Blood Group A Trisaccharide


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Dolichos Biflorus Seed Lectin in Complex with the Blood Group A Trisaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:70.6 occ:1.00 OE2 A:GLU123 2.1 38.9 1.0 NE2 A:HIS138 2.5 30.9 1.0 OD1 A:ASP133 2.5 34.8 1.0 OD2 A:ASP125 2.6 27.6 1.0 CD A:GLU123 3.0 35.2 1.0 OE1 A:GLU123 3.1 34.0 1.0 CD2 A:HIS138 3.4 33.4 1.0 CE1 A:HIS138 3.5 29.3 1.0 CG A:ASP125 3.6 26.9 1.0 OG A:SER148 3.6 25.1 1.0 CG A:ASP133 3.6 32.4 1.0 CB A:ASP125 3.8 24.9 1.0 OD2 A:ASP133 4.1 29.7 1.0 O A:ILE146 4.2 30.0 1.0 CG A:GLU123 4.4 31.4 1.0 ND1 A:HIS138 4.6 30.8 1.0 CG A:HIS138 4.6 32.4 1.0 CD1 A:TRP132 4.7 37.8 1.0 CA A:CA301 4.7 36.8 1.0 OD1 A:ASP125 4.7 27.9 1.0 CD A:PRO134 4.7 37.8 1.0 NE1 A:TRP132 4.8 37.1 1.0 CB A:ASP133 4.8 32.0 1.0 CB A:SER148 4.9 24.1 1.0 OD1 A:ASP142 5.0 22.3 1.0

Manganese binding site 2 out of 2 in the Dolichos Biflorus Seed Lectin in Complex with the Blood Group A Trisaccharide


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Dolichos Biflorus Seed Lectin in Complex with the Blood Group A Trisaccharide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn302 b:74.1 occ:1.00 OE2 B:GLU123 2.2 37.2 1.0 NE2 B:HIS138 2.5 32.6 1.0 OD2 B:ASP125 2.5 30.0 1.0 OD1 B:ASP133 2.5 31.8 1.0 CD B:GLU123 3.0 33.2 1.0 OE1 B:GLU123 3.1 31.7 1.0 CD2 B:HIS138 3.5 33.8 1.0 CE1 B:HIS138 3.5 30.7 1.0 CG B:ASP125 3.5 29.3 1.0 CG B:ASP133 3.6 31.0 1.0 OG B:SER148 3.6 22.4 1.0 CB B:ASP125 3.7 26.0 1.0 OD2 B:ASP133 4.0 27.0 1.0 O B:ILE146 4.2 29.4 1.0 CG B:GLU123 4.4 29.5 1.0 ND1 B:HIS138 4.6 31.9 1.0 CG B:HIS138 4.6 32.0 1.0 OD1 B:ASP125 4.7 32.4 1.0 CA B:CA301 4.7 28.6 1.0 CD1 B:TRP132 4.7 36.4 1.0 CD B:PRO134 4.7 36.7 1.0 NE1 B:TRP132 4.8 37.3 1.0 CB B:ASP133 4.8 32.6 1.0 CB B:SER148 5.0 23.6 1.0

T.W.Hamelryck, R.Loris, J.Bouckaert, M.H.Dao-Thi, G.Strecker, A.Imberty, E.Fernandez, L.Wyns, M.E.Etzler. Carbohydrate Binding, Quaternary Structure and A Novel Hydrophobic Binding Site in Two Legume Lectin Oligomers From Dolichos Biflorus. J.Mol.Biol. V. 286 1161 1999.
ISSN: ISSN 0022-2836
PubMed: 10047489
DOI: 10.1006/JMBI.1998.2534