Manganese in PDB 2ar6: Pterocarpus Angolensis Lectin (Pal) in Complex with the Pentasaccharide M592

The structure of Pterocarpus Angolensis Lectin (Pal) in Complex with the Pentasaccharide M592, PDB code: 2ar6 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)	25.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.714, 83.592, 122.367, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 20.1

The structure of Pterocarpus Angolensis Lectin (Pal) in Complex with the Pentasaccharide M592 also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Manganese atom in the Pterocarpus Angolensis Lectin (Pal) in Complex with the Pentasaccharide M592 (pdb code 2ar6). 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 (Pal) in Complex with the Pentasaccharide M592, PDB code: 2ar6:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Pterocarpus Angolensis Lectin (Pal) in Complex with the Pentasaccharide M592


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 (Pal) in Complex with the Pentasaccharide M592 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn361 b:18.8 occ:1.00 O A:HOH367 2.0 20.9 1.0 OE1 A:GLU128 2.1 19.3 1.0 OD2 A:ASP130 2.2 18.7 1.0 OD1 A:ASP141 2.2 18.7 1.0 NE2 A:HIS146 2.2 19.9 1.0 O A:HOH366 2.3 20.1 1.0 CG A:ASP141 3.1 22.1 1.0 CE1 A:HIS146 3.2 22.5 1.0 CD A:GLU128 3.2 24.3 1.0 CG A:ASP130 3.2 17.7 1.0 CD2 A:HIS146 3.3 20.0 1.0 OE2 A:GLU128 3.5 22.8 1.0 CB A:ASP130 3.5 16.0 1.0 OD2 A:ASP141 3.5 22.4 1.0 O A:HOH364 3.9 20.2 1.0 CA A:CA363 4.2 20.5 1.0 OD1 A:ASP130 4.3 19.9 1.0 OG A:SER156 4.3 20.0 1.0 ND1 A:HIS146 4.3 18.5 1.0 CB A:ASP141 4.4 24.3 1.0 CG A:HIS146 4.4 19.1 1.0 CG A:GLU128 4.5 16.4 1.0 O A:ILE154 4.5 22.5 1.0 CD1 A:TRP140 4.5 21.5 1.0 NE1 A:TRP140 4.5 24.1 1.0 O A:HOH384 4.7 24.2 1.0 CA A:ASP141 4.8 24.7 1.0 CD A:PRO142 4.8 24.4 1.0

Manganese binding site 2 out of 2 in the Pterocarpus Angolensis Lectin (Pal) in Complex with the Pentasaccharide M592


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 (Pal) in Complex with the Pentasaccharide M592 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn362 b:18.8 occ:1.00 OE1 B:GLU128 2.2 16.7 1.0 OD2 B:ASP130 2.2 17.2 1.0 OD1 B:ASP141 2.2 17.1 1.0 O B:HOH366 2.2 18.2 1.0 NE2 B:HIS146 2.2 19.0 1.0 O B:HOH365 2.3 20.1 1.0 CE1 B:HIS146 3.1 19.7 1.0 CG B:ASP141 3.2 21.8 1.0 CG B:ASP130 3.2 20.8 1.0 CD B:GLU128 3.2 21.2 1.0 CD2 B:HIS146 3.3 18.8 1.0 CB B:ASP130 3.5 18.9 1.0 OE2 B:GLU128 3.5 17.1 1.0 OD2 B:ASP141 3.6 21.1 1.0 O B:HOH367 3.9 20.1 1.0 CA B:CA364 4.2 19.6 1.0 OG B:SER156 4.3 18.5 1.0 OD1 B:ASP130 4.3 18.8 1.0 ND1 B:HIS146 4.3 18.8 1.0 CB B:ASP141 4.4 23.1 1.0 CG B:HIS146 4.4 18.7 1.0 CG B:GLU128 4.5 17.2 1.0 O B:HOH371 4.6 28.0 1.0 O B:ILE154 4.6 22.4 1.0 CD1 B:TRP140 4.6 22.2 1.0 NE1 B:TRP140 4.7 19.8 1.0 CA B:ASP141 4.8 23.4 1.0 CD B:PRO142 4.8 27.1 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