Manganese in PDB 1q8p: Pterocarpus Angolensis Lectin Pal in Complex with the Dimannoside Man(ALPHA1-3)Man

The structure of Pterocarpus Angolensis Lectin Pal in Complex with the Dimannoside Man(ALPHA1-3)Man, PDB code: 1q8p was solved by R.Loris, I.Van Walle, H.De Greve, S.Beeckmans, F.Deboeck, L.Wyns, J.Bouckaert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.00 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.880, 83.030, 122.940, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 20.6

The structure of Pterocarpus Angolensis Lectin Pal in Complex with the Dimannoside Man(ALPHA1-3)Man 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 Dimannoside Man(ALPHA1-3)Man (pdb code 1q8p). 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 Dimannoside Man(ALPHA1-3)Man, PDB code: 1q8p:
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 Dimannoside Man(ALPHA1-3)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 Pal in Complex with the Dimannoside Man(ALPHA1-3)Man within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn261 b:14.9 occ:1.00 O A:HOH266 2.2 16.2 1.0 OE1 A:GLU128 2.2 14.0 1.0 OD1 A:ASP141 2.2 13.7 1.0 OD2 A:ASP130 2.3 15.1 1.0 O A:HOH264 2.3 14.7 1.0 NE2 A:HIS146 2.4 15.1 1.0 CG A:ASP141 3.2 15.4 1.0 CD A:GLU128 3.2 16.3 1.0 CG A:ASP130 3.2 14.3 1.0 CE1 A:HIS146 3.3 15.9 1.0 CD2 A:HIS146 3.4 12.0 1.0 CB A:ASP130 3.6 13.2 1.0 OE2 A:GLU128 3.6 17.5 1.0 OD2 A:ASP141 3.6 17.5 1.0 O A:HOH267 3.8 16.6 1.0 CA A:CA262 4.2 14.9 1.0 OG A:SER156 4.3 16.3 1.0 OD1 A:ASP130 4.3 16.1 1.0 CB A:ASP141 4.4 16.6 1.0 ND1 A:HIS146 4.4 14.7 1.0 O A:ILE154 4.5 17.3 1.0 CG A:HIS146 4.5 13.4 1.0 CG A:GLU128 4.5 10.5 1.0 CD1 A:TRP140 4.5 14.3 1.0 O A:HOH268 4.6 20.2 1.0 NE1 A:TRP140 4.6 18.1 1.0 CA A:ASP141 4.8 19.0 1.0 CD A:PRO142 4.9 19.6 1.0

Manganese binding site 2 out of 2 in the Pterocarpus Angolensis Lectin Pal in Complex with the Dimannoside Man(ALPHA1-3)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 Pal in Complex with the Dimannoside Man(ALPHA1-3)Man within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn261 b:15.6 occ:1.00 OD1 B:ASP141 2.2 13.4 1.0 OE1 B:GLU128 2.2 13.4 1.0 O B:HOH1267 2.2 16.7 1.0 O B:HOH1263 2.2 14.7 1.0 OD2 B:ASP130 2.3 13.3 1.0 NE2 B:HIS146 2.4 17.1 1.0 CG B:ASP141 3.2 17.3 1.0 CD B:GLU128 3.2 18.1 1.0 CG B:ASP130 3.2 16.8 1.0 CE1 B:HIS146 3.3 15.0 1.0 CD2 B:HIS146 3.4 14.1 1.0 CB B:ASP130 3.6 17.0 1.0 OE2 B:GLU128 3.6 14.6 1.0 OD2 B:ASP141 3.6 18.4 1.0 O B:HOH1265 3.8 16.9 1.0 CA B:CA1262 4.2 15.7 1.0 OG B:SER156 4.3 17.2 1.0 OD1 B:ASP130 4.3 14.5 1.0 CB B:ASP141 4.4 17.3 1.0 ND1 B:HIS146 4.4 17.7 1.0 NE1 B:TRP140 4.5 20.8 1.0 CD1 B:TRP140 4.5 21.8 1.0 CG B:HIS146 4.5 15.9 1.0 CG B:GLU128 4.5 14.0 1.0 O B:ILE154 4.5 19.4 1.0 O B:HOH1288 4.6 24.9 1.0 CA B:ASP141 4.8 19.1 1.0 CD B:PRO142 4.9 21.5 1.0

R.Loris, I.Van Walle, H.De Greve, S.Beeckmans, F.Deboeck, L.Wyns, J.Bouckaert. Structural Basis of Oligomannose Recognition By the Pterocarpus Angolensis Seed Lectin J.Mol.Biol. V. 335 1227 2004.
ISSN: ISSN 0022-2836
PubMed: 14729339
DOI: 10.1016/J.JMB.2003.11.043