Manganese in PDB 1qos: Lectin Uea-II Complexed with Chitobiose

The structure of Lectin Uea-II Complexed with Chitobiose, PDB code: 1qos was solved by R.Loris, H.De Greve, M.-H.Dao-Thi, J.Messens, A.Imberty, L.Wyns, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.95
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	106.030, 106.030, 87.020, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 22.3

The structure of Lectin Uea-II Complexed with Chitobiose also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Manganese atom in the Lectin Uea-II Complexed with Chitobiose (pdb code 1qos). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Lectin Uea-II Complexed with Chitobiose, PDB code: 1qos:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Lectin Uea-II Complexed with Chitobiose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Lectin Uea-II Complexed with Chitobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:31.0 occ:1.00 OD1 A:ASP139 1.9 63.7 1.0 OE2 A:GLU126 1.9 45.9 1.0 OD2 A:ASP128 2.1 39.1 1.0 NE2 A:HIS144 2.2 40.0 1.0 CD A:GLU126 2.9 42.6 1.0 CG A:ASP139 3.0 60.1 1.0 CE1 A:HIS144 3.2 41.7 1.0 CD2 A:HIS144 3.2 43.5 1.0 CG A:ASP128 3.2 40.7 1.0 OE1 A:GLU126 3.3 42.8 1.0 OD2 A:ASP139 3.5 60.2 1.0 CB A:ASP128 3.8 41.2 1.0 OG A:SER154 3.8 44.1 1.0 CB A:ASP139 4.2 57.6 1.0 CG A:GLU126 4.3 38.5 1.0 O A:ILE152 4.3 52.0 1.0 OD1 A:ASP128 4.3 45.3 1.0 ND1 A:HIS144 4.3 42.1 1.0 CD1 A:TRP138 4.3 56.2 1.0 CG A:HIS144 4.3 42.3 1.0 NE1 A:TRP138 4.4 58.8 1.0 CA A:CA302 4.5 57.2 1.0 CA A:ASP139 4.6 56.9 1.0 CD A:PRO140 4.9 56.7 1.0

Manganese binding site 2 out of 2 in the Lectin Uea-II Complexed with Chitobiose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Lectin Uea-II Complexed with Chitobiose within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:38.2 occ:1.00 OE2 B:GLU126 1.9 47.1 1.0 OD1 B:ASP139 2.0 63.9 1.0 NE2 B:HIS144 2.1 41.8 1.0 OD2 B:ASP128 2.2 39.4 1.0 CD B:GLU126 2.9 43.4 1.0 CG B:ASP139 3.1 59.9 1.0 CD2 B:HIS144 3.1 45.9 1.0 CE1 B:HIS144 3.1 44.7 1.0 OE1 B:GLU126 3.3 43.0 1.0 CG B:ASP128 3.3 39.8 1.0 OD2 B:ASP139 3.6 60.1 1.0 OG B:SER154 3.8 44.7 1.0 CB B:ASP128 3.8 40.9 1.0 CG B:GLU126 4.2 39.2 1.0 ND1 B:HIS144 4.2 44.5 1.0 CG B:HIS144 4.2 43.9 1.0 CB B:ASP139 4.3 57.2 1.0 O B:ILE152 4.3 53.6 1.0 OD1 B:ASP128 4.3 41.7 1.0 CD1 B:TRP138 4.4 57.2 1.0 NE1 B:TRP138 4.5 58.7 1.0 CA B:CA302 4.6 52.9 1.0 CA B:ASP139 4.6 56.5 1.0 CD B:PRO140 4.8 56.5 1.0

R.Loris, H.De Greve, M.-H.Dao-Thi, J.Messens, A.Imberty, L.Wyns. Structural Basis of Carbohydrate Recognition By Lectin II From Ulex Europaeus, A Protein with A Promiscuous Carbohydrate Binding Site J.Mol.Biol. V. 301 987 2000.
ISSN: ISSN 0022-2836
PubMed: 10966800
DOI: 10.1006/JMBI.2000.4016