Manganese in PDB 2are: Pterocarpus Angolensis Lectin (Pal) in Complex with D-Mannose (Anomeric Mixture)

The structure of Pterocarpus Angolensis Lectin (Pal) in Complex with D-Mannose (Anomeric Mixture), PDB code: 2are was solved by L.Buts, A.Garcia-Pino, A.Imberty, N.Amiot, G.-J.Boons, W.Versees, J.Lah, S.Beeckmans, L.Wyns, R.Loris, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.731, 83.361, 122.938, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 20.4

The structure of Pterocarpus Angolensis Lectin (Pal) in Complex with D-Mannose (Anomeric Mixture) 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 D-Mannose (Anomeric Mixture) (pdb code 2are). 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 D-Mannose (Anomeric Mixture), PDB code: 2are:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Pterocarpus Angolensis Lectin (Pal) in Complex with D-Mannose (Anomeric Mixture)


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 D-Mannose (Anomeric Mixture) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn281 b:16.4 occ:1.00 O A:HOH287 1.9 17.5 1.0 OD2 A:ASP130 2.0 18.0 1.0 OE1 A:GLU128 2.1 16.5 1.0 OD1 A:ASP141 2.2 15.4 1.0 O A:HOH286 2.2 15.4 1.0 NE2 A:HIS146 2.3 18.6 1.0 CG A:ASP130 3.1 13.7 1.0 CG A:ASP141 3.1 17.3 1.0 CD A:GLU128 3.1 19.6 1.0 CE1 A:HIS146 3.2 21.6 1.0 CD2 A:HIS146 3.2 17.4 1.0 OE2 A:GLU128 3.5 18.2 1.0 CB A:ASP130 3.6 12.9 1.0 OD2 A:ASP141 3.6 17.9 1.0 O A:HOH284 3.8 17.5 1.0 CA A:CA283 4.1 18.3 1.0 OD1 A:ASP130 4.2 17.5 1.0 ND1 A:HIS146 4.3 19.7 1.0 CB A:ASP141 4.3 19.9 1.0 OG A:SER156 4.4 15.2 1.0 CG A:HIS146 4.4 19.1 1.0 CG A:GLU128 4.5 13.2 1.0 CD1 A:TRP140 4.5 20.7 1.0 O A:ILE154 4.5 18.6 1.0 NE1 A:TRP140 4.5 20.5 1.0 O A:HOH296 4.7 22.2 1.0 CA A:ASP141 4.8 22.1 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 D-Mannose (Anomeric Mixture)


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 D-Mannose (Anomeric Mixture) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn282 b:14.0 occ:1.00 O B:HOH286 2.1 18.4 1.0 OD2 B:ASP130 2.1 15.7 1.0 OE1 B:GLU128 2.1 14.2 1.0 OD1 B:ASP141 2.2 16.0 1.0 O B:HOH285 2.2 17.2 1.0 NE2 B:HIS146 2.2 19.1 1.0 CG B:ASP130 3.2 16.1 1.0 CG B:ASP141 3.2 21.1 1.0 CD B:GLU128 3.2 14.1 1.0 CE1 B:HIS146 3.2 17.6 1.0 CD2 B:HIS146 3.3 13.3 1.0 OE2 B:GLU128 3.5 14.4 1.0 OD2 B:ASP141 3.6 19.4 1.0 CB B:ASP130 3.6 17.2 1.0 O B:HOH287 3.8 14.6 1.0 CA B:CA284 4.2 18.0 1.0 OD1 B:ASP130 4.3 13.7 1.0 OG B:SER156 4.3 15.2 1.0 ND1 B:HIS146 4.3 16.1 1.0 CB B:ASP141 4.4 19.1 1.0 CG B:HIS146 4.4 15.8 1.0 CG B:GLU128 4.5 13.2 1.0 O B:HOH313 4.5 22.6 1.0 CD1 B:TRP140 4.5 23.7 1.0 NE1 B:TRP140 4.5 20.6 1.0 O B:ILE154 4.6 19.0 1.0 CA B:ASP141 4.8 20.8 1.0 CD B:PRO142 4.8 24.9 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