Manganese in PDB 1ukg: Pterocarps Angolensis Lectin Pal in Complex with Methyl-Alpha-Mannose

The structure of Pterocarps Angolensis Lectin Pal in Complex with Methyl-Alpha-Mannose, PDB code: 1ukg 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 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.820, 83.670, 123.000, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 21.5

The structure of Pterocarps Angolensis Lectin Pal in Complex with Methyl-Alpha-Mannose also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Manganese atom in the Pterocarps Angolensis Lectin Pal in Complex with Methyl-Alpha-Mannose (pdb code 1ukg). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Pterocarps Angolensis Lectin Pal in Complex with Methyl-Alpha-Mannose, PDB code: 1ukg:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Pterocarps Angolensis Lectin Pal in Complex with Methyl-Alpha-Mannose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Pterocarps Angolensis Lectin Pal in Complex with Methyl-Alpha-Mannose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn261 b:19.9 occ:1.00 O A:HOH1267 2.1 20.5 1.0 OD1 A:ASP141 2.2 17.9 1.0 OE1 A:GLU128 2.2 16.9 1.0 OD2 A:ASP130 2.2 19.4 1.0 O A:HOH1263 2.3 16.7 1.0 NE2 A:HIS146 2.4 16.8 1.0 CG A:ASP141 3.1 18.9 1.0 CD A:GLU128 3.2 24.1 1.0 CG A:ASP130 3.2 15.5 1.0 CE1 A:HIS146 3.3 21.3 1.0 CD2 A:HIS146 3.4 18.6 1.0 OE2 A:GLU128 3.6 22.9 1.0 CB A:ASP130 3.6 16.3 1.0 OD2 A:ASP141 3.6 22.1 1.0 O A:HOH1266 3.9 19.7 1.0 CA A:CA1262 4.2 19.4 1.0 OG A:SER156 4.3 18.9 1.0 CB A:ASP141 4.3 19.1 1.0 OD1 A:ASP130 4.3 18.8 1.0 ND1 A:HIS146 4.4 17.7 1.0 O A:HOH1273 4.5 24.9 1.0 CG A:HIS146 4.5 19.9 1.0 CD1 A:TRP140 4.5 21.1 1.0 O A:ILE154 4.5 20.6 1.0 CG A:GLU128 4.5 16.0 1.0 NE1 A:TRP140 4.6 22.5 1.0 CA A:ASP141 4.8 21.7 1.0 CD A:PRO142 4.9 23.0 1.0

Manganese binding site 2 out of 2 in the Pterocarps Angolensis Lectin Pal in Complex with Methyl-Alpha-Mannose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Pterocarps Angolensis Lectin Pal in Complex with Methyl-Alpha-Mannose within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn261 b:18.2 occ:1.00 OD1 B:ASP141 2.1 15.1 1.0 OE1 B:GLU128 2.2 14.9 1.0 OD2 B:ASP130 2.2 14.2 1.0 O B:HOH2264 2.2 16.1 1.0 O B:HOH2263 2.3 15.9 1.0 NE2 B:HIS146 2.3 18.5 1.0 CG B:ASP141 3.2 20.2 1.0 CE1 B:HIS146 3.2 16.2 1.0 CD B:GLU128 3.2 16.7 1.0 CG B:ASP130 3.2 18.1 1.0 CD2 B:HIS146 3.4 16.1 1.0 OE2 B:GLU128 3.6 17.5 1.0 CB B:ASP130 3.6 18.3 1.0 OD2 B:ASP141 3.6 19.2 1.0 O B:HOH2269 3.9 18.5 1.0 CA B:CA2262 4.2 17.7 1.0 OG B:SER156 4.3 17.0 1.0 OD1 B:ASP130 4.3 15.2 1.0 CB B:ASP141 4.3 17.4 1.0 ND1 B:HIS146 4.4 17.2 1.0 CG B:HIS146 4.5 16.3 1.0 O B:HOH2275 4.5 21.9 1.0 O B:ILE154 4.5 20.2 1.0 CG B:GLU128 4.5 16.5 1.0 CD1 B:TRP140 4.6 21.2 1.0 NE1 B:TRP140 4.6 19.9 1.0 CA B:ASP141 4.8 20.4 1.0 CD B:PRO142 4.9 22.6 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