Manganese in PDB 1qnw: Lectin II From Ulex Europaeus

The structure of Lectin II From Ulex Europaeus, PDB code: 1qnw 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)	50.0 / 2.35
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	104.910, 104.910, 175.450, 90.00, 90.00, 120.00
R / Rfree (%)	17.8 / 21.8

The structure of Lectin II From Ulex Europaeus also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Manganese atom in the Lectin II From Ulex Europaeus (pdb code 1qnw). 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 II From Ulex Europaeus, PDB code: 1qnw:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Lectin II From Ulex Europaeus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Lectin II From Ulex Europaeus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:38.0 occ:1.00 O A:HOH2050 2.0 20.2 1.0 OD2 A:ASP128 2.1 24.7 1.0 NE2 A:HIS144 2.2 20.2 1.0 OE2 A:GLU126 2.2 30.2 1.0 OD1 A:ASP139 2.2 31.9 1.0 O A:HOH2049 2.3 32.1 1.0 CE1 A:HIS144 3.1 18.6 1.0 CG A:ASP128 3.1 20.8 1.0 CG A:ASP139 3.1 25.4 1.0 CD2 A:HIS144 3.2 20.2 1.0 CD A:GLU126 3.2 24.2 1.0 CB A:ASP128 3.4 22.7 1.0 OD2 A:ASP139 3.5 20.8 1.0 OE1 A:GLU126 3.6 31.2 1.0 O A:HOH2020 4.0 21.3 1.0 OD1 A:ASP128 4.2 29.8 1.0 ND1 A:HIS144 4.2 15.9 1.0 CA A:CA302 4.2 25.5 1.0 CG A:HIS144 4.3 21.6 1.0 CB A:ASP139 4.3 27.1 1.0 OG A:SER154 4.4 18.9 1.0 O A:HOH2027 4.5 23.6 1.0 CG A:GLU126 4.6 19.4 1.0 O A:ILE152 4.6 25.6 1.0 NE1 A:TRP138 4.7 27.7 1.0 CD1 A:TRP138 4.7 26.9 1.0 CD A:PRO140 4.8 27.6 1.0 CA A:ASP139 4.8 24.6 1.0 CA A:ASP128 4.9 21.2 1.0

Manganese binding site 2 out of 4 in the Lectin II From Ulex Europaeus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Lectin II From Ulex Europaeus within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn303 b:20.0 occ:1.00 O B:HOH2051 2.1 13.4 1.0 OD2 B:ASP128 2.1 15.2 1.0 OD1 B:ASP139 2.2 29.3 1.0 NE2 B:HIS144 2.2 16.9 1.0 OE2 B:GLU126 2.2 22.2 1.0 O B:HOH2050 2.4 22.0 1.0 CE1 B:HIS144 3.1 11.4 1.0 CG B:ASP139 3.2 23.6 1.0 CG B:ASP128 3.2 18.5 1.0 CD B:GLU126 3.2 20.0 1.0 CD2 B:HIS144 3.2 17.2 1.0 CB B:ASP128 3.5 22.9 1.0 OE1 B:GLU126 3.6 20.1 1.0 OD2 B:ASP139 3.6 20.4 1.0 O B:HOH2019 4.0 9.3 1.0 CA B:CA304 4.2 17.9 1.0 OG B:SER154 4.3 16.1 1.0 OD1 B:ASP128 4.3 20.6 1.0 ND1 B:HIS144 4.3 19.4 1.0 CG B:HIS144 4.4 18.4 1.0 CB B:ASP139 4.4 21.1 1.0 O B:HOH2028 4.5 16.1 1.0 O B:ILE152 4.5 25.9 1.0 CG B:GLU126 4.6 16.8 1.0 CD1 B:TRP138 4.6 20.3 1.0 NE1 B:TRP138 4.6 22.3 1.0 CD B:PRO140 4.7 29.3 1.0 CA B:ASP139 4.8 22.6 1.0

Manganese binding site 3 out of 4 in the Lectin II From Ulex Europaeus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Lectin II From Ulex Europaeus within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn305 b:30.2 occ:1.00 OE2 C:GLU126 2.1 28.7 1.0 O C:HOH2050 2.2 25.1 1.0 OD2 C:ASP128 2.2 26.0 1.0 OD1 C:ASP139 2.3 34.1 1.0 O C:HOH2051 2.3 24.5 1.0 NE2 C:HIS144 2.4 21.3 1.0 CD C:GLU126 3.1 22.1 1.0 CG C:ASP128 3.3 26.4 1.0 CG C:ASP139 3.3 28.1 1.0 CE1 C:HIS144 3.3 21.7 1.0 CD2 C:HIS144 3.3 23.5 1.0 OE1 C:GLU126 3.4 21.0 1.0 CB C:ASP128 3.6 22.9 1.0 OD2 C:ASP139 3.7 23.9 1.0 O C:HOH2018 4.1 24.1 1.0 OG C:SER154 4.1 24.1 1.0 CA C:CA306 4.3 30.4 1.0 O C:ILE152 4.4 26.8 1.0 OD1 C:ASP128 4.4 28.9 1.0 ND1 C:HIS144 4.4 23.3 1.0 CG C:GLU126 4.5 20.4 1.0 CB C:ASP139 4.5 27.2 1.0 CG C:HIS144 4.5 22.3 1.0 O C:HOH2023 4.5 35.5 1.0 CD1 C:TRP138 4.6 26.6 1.0 NE1 C:TRP138 4.6 26.4 1.0 CD C:PRO140 4.9 29.0 1.0 CA C:ASP139 4.9 28.4 1.0

Manganese binding site 4 out of 4 in the Lectin II From Ulex Europaeus


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Lectin II From Ulex Europaeus within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn307 b:28.7 occ:1.00 O D:HOH2047 2.0 23.5 1.0 OD2 D:ASP128 2.1 20.6 1.0 OE2 D:GLU126 2.2 25.4 1.0 OD1 D:ASP139 2.3 33.2 1.0 NE2 D:HIS144 2.3 23.1 1.0 O D:HOH2048 2.5 15.2 1.0 CG D:ASP128 3.1 22.6 1.0 CD D:GLU126 3.2 20.1 1.0 CG D:ASP139 3.2 27.4 1.0 CE1 D:HIS144 3.2 18.6 1.0 CD2 D:HIS144 3.4 23.1 1.0 OE1 D:GLU126 3.5 22.4 1.0 CB D:ASP128 3.5 23.6 1.0 OD2 D:ASP139 3.5 21.5 1.0 O D:HOH2019 3.9 21.3 1.0 CA D:CA308 4.0 25.9 1.0 OD1 D:ASP128 4.2 22.3 1.0 OG D:SER154 4.3 19.9 1.0 ND1 D:HIS144 4.4 26.2 1.0 CB D:ASP139 4.4 25.8 1.0 CG D:HIS144 4.5 23.3 1.0 O D:ILE152 4.5 29.8 1.0 CG D:GLU126 4.5 20.2 1.0 NE1 D:TRP138 4.5 23.1 1.0 O D:HOH2023 4.6 23.9 1.0 CD1 D:TRP138 4.6 27.5 1.0 CA D:ASP139 4.8 28.5 1.0 CD D:PRO140 4.9 27.0 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