Manganese in PDB 1q8q: Pterocarpus Angolensis Lectin (Pal) in Complex with the Dimannoside Man(ALPHA1-4)Man

The structure of Pterocarpus Angolensis Lectin (Pal) in Complex with the Dimannoside Man(ALPHA1-4)Man, PDB code: 1q8q 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)	19.90 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.280, 83.370, 122.960, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 21.8

The structure of Pterocarpus Angolensis Lectin (Pal) in Complex with the Dimannoside Man(ALPHA1-4)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(ALPHA1-4)Man (pdb code 1q8q). 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(ALPHA1-4)Man, PDB code: 1q8q:
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(ALPHA1-4)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(ALPHA1-4)Man within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn261 b:17.3 occ:1.00 O A:HOH277 2.2 15.7 1.0 OE1 A:GLU128 2.2 14.7 1.0 OD1 A:ASP141 2.2 17.3 1.0 OD2 A:ASP130 2.3 14.4 1.0 NE2 A:HIS146 2.4 17.9 1.0 O A:HOH276 2.5 14.9 1.0 CG A:ASP141 3.1 19.0 1.0 CD A:GLU128 3.2 15.9 1.0 CG A:ASP130 3.2 18.9 1.0 CE1 A:HIS146 3.3 17.8 1.0 CD2 A:HIS146 3.4 16.7 1.0 OD2 A:ASP141 3.4 19.5 1.0 OE2 A:GLU128 3.5 18.7 1.0 CB A:ASP130 3.5 16.5 1.0 O A:HOH271 3.9 20.8 1.0 CA A:CA262 4.2 14.9 1.0 CB A:ASP141 4.3 19.7 1.0 OD1 A:ASP130 4.3 16.8 1.0 OG A:SER156 4.5 16.9 1.0 ND1 A:HIS146 4.5 18.6 1.0 NE1 A:TRP140 4.5 21.9 1.0 CG A:HIS146 4.6 17.5 1.0 CD1 A:TRP140 4.6 18.7 1.0 CG A:GLU128 4.6 11.6 1.0 O A:HOH272 4.6 18.4 1.0 O A:ILE154 4.6 18.7 1.0 CA A:ASP141 4.8 22.4 1.0 CD A:PRO142 4.9 25.3 1.0

Manganese binding site 2 out of 2 in the Pterocarpus Angolensis Lectin (Pal) in Complex with the Dimannoside Man(ALPHA1-4)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(ALPHA1-4)Man within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn261 b:17.9 occ:1.00 OD1 B:ASP141 2.2 15.3 1.0 OE1 B:GLU128 2.3 12.8 1.0 O B:HOH1292 2.3 11.0 1.0 OD2 B:ASP130 2.4 15.6 1.0 O B:HOH1291 2.4 15.4 1.0 NE2 B:HIS146 2.4 12.0 1.0 CG B:ASP141 3.1 16.4 1.0 CE1 B:HIS146 3.2 13.5 1.0 CD B:GLU128 3.2 15.1 1.0 CG B:ASP130 3.3 14.8 1.0 CD2 B:HIS146 3.4 14.1 1.0 OD2 B:ASP141 3.5 18.6 1.0 OE2 B:GLU128 3.5 10.1 1.0 CB B:ASP130 3.6 14.2 1.0 O B:HOH1281 3.9 17.3 1.0 CA B:CA1262 4.2 14.7 1.0 CB B:ASP141 4.3 19.6 1.0 OG B:SER156 4.4 18.2 1.0 OD1 B:ASP130 4.4 15.0 1.0 ND1 B:HIS146 4.4 12.8 1.0 NE1 B:TRP140 4.5 18.8 1.0 CG B:HIS146 4.5 13.7 1.0 O B:ILE154 4.5 17.2 1.0 CD1 B:TRP140 4.6 18.6 1.0 CG B:GLU128 4.6 13.4 1.0 O B:HOH1348 4.7 19.4 1.0 CA B:ASP141 4.8 19.7 1.0 CD B:PRO142 4.9 21.9 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