Manganese in PDB 2phw: Pterocarpus Angolensis Lectin (Pal) in Complex with Man-9

The structure of Pterocarpus Angolensis Lectin (Pal) in Complex with Man-9, PDB code: 2phw was solved by A.Garcia-Pino, L.Buts, L.Wyns, A.Imberty, R.Loris, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.694, 83.205, 122.919, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 20

The structure of Pterocarpus Angolensis Lectin (Pal) in Complex with Man-9 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 Man-9 (pdb code 2phw). 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 Man-9, PDB code: 2phw:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Pterocarpus Angolensis Lectin (Pal) in Complex with Man-9


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 Man-9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:15.8 occ:1.00 OE1 A:GLU128 2.1 13.8 1.0 O A:HOH305 2.2 18.7 1.0 OD1 A:ASP141 2.2 14.6 1.0 OD2 A:ASP130 2.2 17.4 1.0 O A:HOH306 2.3 17.4 1.0 NE2 A:HIS146 2.3 16.1 1.0 CG A:ASP141 3.2 15.6 1.0 CD A:GLU128 3.2 18.4 1.0 CG A:ASP130 3.2 12.0 1.0 CE1 A:HIS146 3.2 18.9 1.0 CD2 A:HIS146 3.3 11.8 1.0 OE2 A:GLU128 3.5 16.9 1.0 CB A:ASP130 3.5 12.2 1.0 OD2 A:ASP141 3.6 17.4 1.0 O A:HOH304 3.8 15.8 1.0 CA A:CA302 4.1 14.5 1.0 OD1 A:ASP130 4.3 15.5 1.0 OG A:SER156 4.3 16.1 1.0 CB A:ASP141 4.4 17.2 1.0 ND1 A:HIS146 4.4 17.0 1.0 CG A:HIS146 4.5 11.4 1.0 CG A:GLU128 4.5 11.8 1.0 NE1 A:TRP140 4.5 17.7 1.0 CD1 A:TRP140 4.5 17.9 1.0 O A:ILE154 4.6 17.5 1.0 O A:HOH346 4.6 21.2 1.0 CA A:ASP141 4.8 19.5 1.0 CD A:PRO142 4.9 21.9 1.0

Manganese binding site 2 out of 2 in the Pterocarpus Angolensis Lectin (Pal) in Complex with Man-9


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 Man-9 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:14.4 occ:1.00 OD1 B:ASP141 2.2 14.2 1.0 OE1 B:GLU128 2.2 12.0 1.0 OD2 B:ASP130 2.2 13.9 1.0 O B:HOH305 2.2 15.4 1.0 O B:HOH306 2.3 14.3 1.0 NE2 B:HIS146 2.4 16.9 1.0 CG B:ASP141 3.2 19.7 1.0 CD B:GLU128 3.2 15.3 1.0 CG B:ASP130 3.2 14.8 1.0 CE1 B:HIS146 3.3 13.6 1.0 CD2 B:HIS146 3.4 13.2 1.0 OE2 B:GLU128 3.5 14.9 1.0 CB B:ASP130 3.6 15.0 1.0 OD2 B:ASP141 3.6 17.3 1.0 O B:HOH304 3.8 16.4 1.0 CA B:CA302 4.2 16.8 1.0 OG B:SER156 4.3 15.3 1.0 OD1 B:ASP130 4.3 13.5 1.0 CB B:ASP141 4.4 16.7 1.0 ND1 B:HIS146 4.4 15.3 1.0 NE1 B:TRP140 4.5 19.6 1.0 CG B:HIS146 4.5 14.5 1.0 CD1 B:TRP140 4.5 19.8 1.0 O B:HOH392 4.5 22.2 1.0 O B:ILE154 4.5 16.9 1.0 CG B:GLU128 4.5 14.1 1.0 CA B:ASP141 4.8 19.1 1.0 CD B:PRO142 4.9 24.4 1.0

A.Garcia-Pino, L.Buts, L.Wyns, A.Imberty, R.Loris. How A Plant Lectin Recognizes High Mannose Oligosaccharides Plant Physiol. V. 144 1733 2007.
ISSN: ISSN 0032-0889
PubMed: 17556509
DOI: 10.1104/PP.107.100867