Manganese in PDB 1les: Lentil Lectin Complexed with Sucrose

The structure of Lentil Lectin Complexed with Sucrose, PDB code: 1les was solved by T.Hamelryck, R.Loris, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.030, 124.800, 50.020, 90.00, 111.80, 90.00
R / Rfree (%)	18.8 / n/a

The structure of Lentil Lectin Complexed with Sucrose also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

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

Manganese binding site 1 out of 2 in the Lentil Lectin Complexed with Sucrose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Lentil Lectin Complexed with Sucrose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn204 b:18.4 occ:1.00 O A:HOH614 2.0 13.8 1.0 OD2 A:ASP121 2.2 13.5 1.0 NE2 A:HIS136 2.2 17.3 1.0 OD1 A:ASP129 2.3 16.2 1.0 O A:HOH613 2.3 19.9 1.0 OE2 A:GLU119 2.4 20.2 1.0 CE1 A:HIS136 3.1 18.0 1.0 CG A:ASP121 3.2 13.6 1.0 CG A:ASP129 3.2 19.4 1.0 CD2 A:HIS136 3.3 16.6 1.0 CD A:GLU119 3.4 18.0 1.0 CB A:ASP121 3.6 12.4 1.0 OE1 A:GLU119 3.6 13.6 1.0 OD2 A:ASP129 3.7 17.1 1.0 O A:HOH611 3.9 10.8 1.0 CA A:CA203 4.2 14.7 1.0 ND1 A:HIS136 4.2 16.1 1.0 OG A:SER146 4.3 14.3 1.0 OD1 A:ASP121 4.3 13.4 1.0 CG A:HIS136 4.4 16.7 1.0 O A:HOH783 4.4 25.9 1.0 CB A:ASP129 4.4 18.0 1.0 CD A:PRO130 4.5 26.3 1.0 O A:ILE144 4.6 18.1 1.0 CD1 A:TRP128 4.6 15.7 1.0 CA A:ASP129 4.7 18.2 1.0 CG A:GLU119 4.7 12.7 1.0 NE1 A:TRP128 4.7 16.4 1.0

Manganese binding site 2 out of 2 in the Lentil Lectin Complexed with Sucrose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Lentil Lectin Complexed with Sucrose within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn202 b:17.9 occ:1.00 OD2 C:ASP121 2.0 13.6 1.0 O C:HOH610 2.1 16.3 1.0 O C:HOH609 2.2 14.6 1.0 NE2 C:HIS136 2.3 19.4 1.0 OE2 C:GLU119 2.3 18.5 1.0 OD1 C:ASP129 2.3 18.4 1.0 CG C:ASP121 3.1 15.6 1.0 CG C:ASP129 3.2 21.3 1.0 CD C:GLU119 3.2 19.9 1.0 CE1 C:HIS136 3.2 16.8 1.0 CD2 C:HIS136 3.3 17.4 1.0 OE1 C:GLU119 3.5 16.7 1.0 O C:HOH760 3.5 0.3 1.0 CB C:ASP121 3.5 11.8 1.0 OD2 C:ASP129 3.7 15.6 1.0 O C:HOH608 3.9 13.0 1.0 OD1 C:ASP121 4.2 15.6 1.0 CA C:CA201 4.2 15.0 1.0 OG C:SER146 4.3 18.4 1.0 CB C:ASP129 4.3 19.0 1.0 ND1 C:HIS136 4.4 17.8 1.0 CG C:HIS136 4.4 17.7 1.0 O C:HOH642 4.5 22.0 1.0 CG C:GLU119 4.6 13.5 1.0 O C:ILE144 4.6 21.0 1.0 CD1 C:TRP128 4.7 10.2 1.0 NE1 C:TRP128 4.7 11.1 1.0 CD C:PRO130 4.7 22.4 1.0 CA C:ASP129 4.7 19.7 1.0

F.Casset, T.Hamelryck, R.Loris, J.R.Brisson, C.Tellier, M.H.Dao-Thi, L.Wyns, F.Poortmans, S.Perez, A.Imberty. uc(Nmr), Molecular Modeling, and Crystallographic Studies of Lentil Lectin-Sucrose Interaction. J.Biol.Chem. V. 270 25619 1995.
ISSN: ISSN 0021-9258
PubMed: 7592736
DOI: 10.1074/JBC.270.43.25619