Manganese in PDB 1qoo: Lectin Uea-II Complexed with Nag

The structure of Lectin Uea-II Complexed with Nag, PDB code: 1qoo 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 / 2.75
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	104.480, 104.480, 175.350, 90.00, 90.00, 120.00
R / Rfree (%)	17.4 / 20.8

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

Calcium

(Ca)

4 atoms

The binding sites of Manganese atom in the Lectin Uea-II Complexed with Nag (pdb code 1qoo). 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 Nag, PDB code: 1qoo:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Lectin Uea-II Complexed with Nag


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 Nag within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:18.2 occ:1.00 OD1 A:ASP139 2.0 29.1 1.0 OE2 A:GLU126 2.1 25.2 1.0 NE2 A:HIS144 2.1 11.3 1.0 OD2 A:ASP128 2.2 15.4 1.0 CD A:GLU126 3.0 19.9 1.0 CD2 A:HIS144 3.1 21.3 1.0 CG A:ASP139 3.1 22.6 1.0 CE1 A:HIS144 3.2 19.5 1.0 OE1 A:GLU126 3.3 24.4 1.0 CG A:ASP128 3.3 17.6 1.0 OD2 A:ASP139 3.6 20.4 1.0 CB A:ASP128 3.7 16.9 1.0 OG A:SER154 3.9 15.2 1.0 ND1 A:HIS144 4.3 16.3 1.0 CG A:HIS144 4.3 14.9 1.0 CB A:ASP139 4.3 17.4 1.0 OD1 A:ASP128 4.4 29.3 1.0 O A:ILE152 4.4 14.8 1.0 CG A:GLU126 4.4 16.3 1.0 CD1 A:TRP138 4.6 19.1 1.0 CA A:CA302 4.6 26.8 1.0 NE1 A:TRP138 4.6 27.6 1.0 CA A:ASP139 4.7 19.8 1.0 CD A:PRO140 4.8 21.8 1.0

Manganese binding site 2 out of 4 in the Lectin Uea-II Complexed with Nag


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 Nag within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn303 b:15.7 occ:1.00 OD1 B:ASP139 2.0 33.0 1.0 OE2 B:GLU126 2.1 24.7 1.0 OD2 B:ASP128 2.2 13.0 1.0 NE2 B:HIS144 2.2 2.0 1.0 CD B:GLU126 3.0 19.8 1.0 CG B:ASP139 3.1 24.3 1.0 CD2 B:HIS144 3.2 14.8 1.0 OE1 B:GLU126 3.2 19.4 1.0 CE1 B:HIS144 3.2 10.2 1.0 CG B:ASP128 3.3 15.4 1.0 OD2 B:ASP139 3.6 22.1 1.0 CB B:ASP128 3.7 17.2 1.0 OG B:SER154 3.9 23.9 1.0 O B:ILE152 4.3 21.2 1.0 ND1 B:HIS144 4.3 14.3 1.0 CG B:HIS144 4.3 14.2 1.0 CB B:ASP139 4.4 19.7 1.0 CG B:GLU126 4.4 19.2 1.0 OD1 B:ASP128 4.4 21.1 1.0 CA B:CA304 4.4 21.9 1.0 CD1 B:TRP138 4.5 11.2 1.0 NE1 B:TRP138 4.6 22.2 1.0 CA B:ASP139 4.7 20.7 1.0 CD B:PRO140 4.8 22.2 1.0

Manganese binding site 3 out of 4 in the Lectin Uea-II Complexed with Nag


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 Nag within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn305 b:15.5 occ:1.00 OD1 C:ASP139 2.0 31.6 1.0 OE2 C:GLU126 2.1 19.8 1.0 OD2 C:ASP128 2.2 17.4 1.0 NE2 C:HIS144 2.3 10.2 1.0 CD C:GLU126 3.0 15.8 1.0 CG C:ASP139 3.1 23.1 1.0 OE1 C:GLU126 3.2 21.6 1.0 CD2 C:HIS144 3.2 24.3 1.0 CE1 C:HIS144 3.3 18.6 1.0 CG C:ASP128 3.3 15.9 1.0 OD2 C:ASP139 3.6 24.1 1.0 CB C:ASP128 3.7 17.9 1.0 OG C:SER154 4.0 22.9 1.0 O C:ILE152 4.3 19.2 1.0 CB C:ASP139 4.4 20.8 1.0 OD1 C:ASP128 4.4 25.5 1.0 ND1 C:HIS144 4.4 23.6 1.0 CG C:HIS144 4.4 17.8 1.0 CG C:GLU126 4.4 15.1 1.0 CD1 C:TRP138 4.5 19.4 1.0 CA C:CA306 4.5 28.9 1.0 NE1 C:TRP138 4.5 27.9 1.0 CA C:ASP139 4.7 21.3 1.0 CD C:PRO140 4.9 22.8 1.0

Manganese binding site 4 out of 4 in the Lectin Uea-II Complexed with Nag


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 Nag within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn307 b:22.5 occ:1.00 OD1 D:ASP139 2.1 30.9 1.0 OE2 D:GLU126 2.1 21.4 1.0 OD2 D:ASP128 2.2 10.1 1.0 NE2 D:HIS144 2.3 11.3 1.0 CD D:GLU126 3.0 18.1 1.0 CG D:ASP139 3.2 20.0 1.0 OE1 D:GLU126 3.2 16.1 1.0 CD2 D:HIS144 3.2 22.7 1.0 CE1 D:HIS144 3.3 14.1 1.0 CG D:ASP128 3.3 17.8 1.0 OD2 D:ASP139 3.6 19.4 1.0 CB D:ASP128 3.8 20.2 1.0 OG D:SER154 3.9 15.0 1.0 O D:ILE152 4.2 22.8 1.0 CG D:GLU126 4.4 17.7 1.0 CB D:ASP139 4.4 17.8 1.0 ND1 D:HIS144 4.4 17.0 1.0 CG D:HIS144 4.4 20.6 1.0 OD1 D:ASP128 4.4 20.5 1.0 CA D:CA308 4.4 26.0 1.0 CD1 D:TRP138 4.5 19.7 1.0 NE1 D:TRP138 4.5 18.3 1.0 CA D:ASP139 4.7 19.1 1.0 CD D:PRO140 4.9 23.5 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