Manganese in PDB 1qot: Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose

The structure of Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose, PDB code: 1qot 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)	30.00 / 3.00
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	104.770, 104.770, 175.190, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 21.5

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

Calcium

(Ca)

4 atoms

The binding sites of Manganese atom in the Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose (pdb code 1qot). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose, PDB code: 1qot:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose


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 Fucosyllactose and Fucosylgalactose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:10.5 occ:1.00 OD1 A:ASP139 1.9 27.6 1.0 OD2 A:ASP128 2.0 19.6 1.0 OE2 A:GLU126 2.1 18.4 1.0 NE2 A:HIS144 2.1 19.9 1.0 CG A:ASP139 2.9 27.8 1.0 CE1 A:HIS144 3.0 19.5 1.0 CD A:GLU126 3.0 17.4 1.0 CG A:ASP128 3.1 19.0 1.0 CD2 A:HIS144 3.2 19.5 1.0 OE1 A:GLU126 3.3 19.2 1.0 OD2 A:ASP139 3.5 27.9 1.0 CB A:ASP128 3.6 18.9 1.0 OG A:SER154 3.9 20.6 1.0 CB A:ASP139 4.1 28.6 1.0 ND1 A:HIS144 4.2 19.3 1.0 OD1 A:ASP128 4.2 19.1 1.0 CG A:HIS144 4.3 19.6 1.0 O A:ILE152 4.4 23.4 1.0 CA A:CA302 4.4 23.6 1.0 CD1 A:TRP138 4.4 31.9 1.0 CG A:GLU126 4.4 15.9 1.0 CA A:ASP139 4.4 29.6 1.0 NE1 A:TRP138 4.5 31.9 1.0 CD A:PRO140 4.6 28.7 1.0

Manganese binding site 2 out of 4 in the Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose


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 Fucosyllactose and Fucosylgalactose within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn303 b:7.2 occ:1.00 OE2 B:GLU126 2.0 18.3 1.0 OD1 B:ASP139 2.0 27.9 1.0 OD2 B:ASP128 2.1 19.3 1.0 NE2 B:HIS144 2.2 19.2 1.0 CD B:GLU126 2.9 17.4 1.0 CG B:ASP139 3.1 28.0 1.0 OE1 B:GLU126 3.1 18.2 1.0 CE1 B:HIS144 3.1 19.3 1.0 CG B:ASP128 3.2 19.4 1.0 CD2 B:HIS144 3.2 19.3 1.0 OD2 B:ASP139 3.6 27.8 1.0 CB B:ASP128 3.7 18.7 1.0 OG B:SER154 3.8 21.2 1.0 OD1 B:ASP128 4.3 19.8 1.0 CB B:ASP139 4.3 28.4 1.0 O B:ILE152 4.3 22.9 1.0 ND1 B:HIS144 4.3 20.0 1.0 CG B:GLU126 4.3 16.6 1.0 CG B:HIS144 4.4 19.7 1.0 CA B:CA304 4.4 22.4 1.0 CD1 B:TRP138 4.4 31.9 1.0 NE1 B:TRP138 4.5 31.9 1.0 CA B:ASP139 4.6 29.5 1.0 CD B:PRO140 4.7 28.5 1.0

Manganese binding site 3 out of 4 in the Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn305 b:10.8 occ:1.00 OD1 C:ASP139 2.0 27.4 1.0 OE2 C:GLU126 2.0 18.4 1.0 OD2 C:ASP128 2.1 19.4 1.0 NE2 C:HIS144 2.1 19.5 1.0 CD C:GLU126 2.9 17.6 1.0 CG C:ASP139 3.0 27.9 1.0 CE1 C:HIS144 3.1 19.2 1.0 OE1 C:GLU126 3.2 18.2 1.0 CG C:ASP128 3.2 19.3 1.0 CD2 C:HIS144 3.2 19.8 1.0 OD2 C:ASP139 3.6 28.3 1.0 CB C:ASP128 3.7 18.7 1.0 OG C:SER154 3.8 21.2 1.0 CB C:ASP139 4.2 28.3 1.0 ND1 C:HIS144 4.2 19.3 1.0 OD1 C:ASP128 4.3 19.6 1.0 CG C:HIS144 4.3 19.3 1.0 O C:ILE152 4.3 23.4 1.0 CG C:GLU126 4.4 16.4 1.0 CD1 C:TRP138 4.4 31.6 1.0 NE1 C:TRP138 4.5 30.6 1.0 CA C:ASP139 4.5 29.3 1.0 CA C:CA306 4.6 22.4 1.0 CD C:PRO140 4.7 28.5 1.0

Manganese binding site 4 out of 4 in the Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Lectin Uea-II Complexed with Fucosyllactose and Fucosylgalactose within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn307 b:9.8 occ:1.00 OD1 D:ASP139 2.0 28.1 1.0 OE2 D:GLU126 2.1 18.4 1.0 OD2 D:ASP128 2.1 19.6 1.0 NE2 D:HIS144 2.3 19.2 1.0 CD D:GLU126 2.9 17.5 1.0 CG D:ASP139 3.0 28.4 1.0 OE1 D:GLU126 3.1 18.0 1.0 CE1 D:HIS144 3.2 19.7 1.0 CG D:ASP128 3.2 18.8 1.0 CD2 D:HIS144 3.3 19.1 1.0 OD2 D:ASP139 3.6 27.2 1.0 CB D:ASP128 3.8 18.4 1.0 OG D:SER154 3.8 20.8 1.0 O D:ILE152 4.2 23.1 1.0 CB D:ASP139 4.2 28.4 1.0 OD1 D:ASP128 4.3 19.8 1.0 CD1 D:TRP138 4.3 31.9 1.0 CG D:GLU126 4.3 16.5 1.0 ND1 D:HIS144 4.3 19.8 1.0 NE1 D:TRP138 4.4 31.2 1.0 CG D:HIS144 4.4 19.6 1.0 CA D:ASP139 4.5 29.5 1.0 CA D:CA308 4.6 22.9 1.0 CD D:PRO140 4.7 28.7 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