Manganese in PDB 1ofs: Pea Lectin-Sucrose Complex

The structure of Pea Lectin-Sucrose Complex, PDB code: 1ofs was solved by M.B.Shevtsov, I.N.Tsygannik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.86 / 1.8
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.831, 60.803, 136.087, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 20.657

The structure of Pea Lectin-Sucrose Complex also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

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

Manganese binding site 1 out of 2 in the Pea Lectin-Sucrose Complex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Pea Lectin-Sucrose Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1182 b:20.7 occ:1.00 OD2 A:ASP121 2.1 15.4 1.0 OD1 A:ASP129 2.2 19.4 1.0 OE1 A:GLU119 2.2 18.3 1.0 O A:HOH2133 2.3 19.5 1.0 NE2 A:HIS136 2.3 19.0 1.0 CG A:ASP121 3.1 17.9 1.0 CG A:ASP129 3.2 18.2 1.0 CD A:GLU119 3.2 21.0 1.0 CE1 A:HIS136 3.2 23.5 1.0 CD2 A:HIS136 3.3 20.7 1.0 OE2 A:GLU119 3.5 20.6 1.0 CB A:ASP121 3.6 17.5 1.0 OD2 A:ASP129 3.7 18.8 1.0 O A:HOH2070 3.8 15.5 1.0 CA A:CA1183 4.1 19.0 1.0 OG A:SER146 4.2 19.0 1.0 OD1 A:ASP121 4.2 15.1 1.0 CB A:ASP129 4.3 21.6 1.0 ND1 A:HIS136 4.4 22.7 1.0 O A:HOH2094 4.4 26.6 1.0 CG A:HIS136 4.4 21.1 1.0 O A:ILE144 4.5 20.0 1.0 CG A:GLU119 4.6 17.6 1.0 NE1 A:TRP128 4.6 18.5 1.0 CD A:PRO130 4.6 25.6 1.0 CD1 A:TRP128 4.6 20.5 1.0 CA A:ASP129 4.7 23.0 1.0

Manganese binding site 2 out of 2 in the Pea Lectin-Sucrose Complex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Pea Lectin-Sucrose Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn1182 b:19.8 occ:1.00 OE1 C:GLU119 2.2 14.7 1.0 OD2 C:ASP121 2.2 15.5 1.0 OD1 C:ASP129 2.2 17.2 1.0 O C:HOH2145 2.3 19.2 1.0 O C:HOH2144 2.3 19.5 1.0 NE2 C:HIS136 2.3 18.4 1.0 CG C:ASP121 3.2 17.5 1.0 CG C:ASP129 3.2 22.6 1.0 CD C:GLU119 3.2 18.7 1.0 CD2 C:HIS136 3.3 19.2 1.0 CE1 C:HIS136 3.3 15.2 1.0 CB C:ASP121 3.6 15.4 1.0 OE2 C:GLU119 3.6 17.6 1.0 OD2 C:ASP129 3.7 21.6 1.0 O C:HOH2076 3.8 18.6 1.0 CA C:CA1183 4.2 19.0 1.0 OG C:SER146 4.2 20.7 1.0 OD1 C:ASP121 4.3 19.8 1.0 CB C:ASP129 4.3 19.6 1.0 O C:HOH2102 4.4 20.3 1.0 ND1 C:HIS136 4.4 18.9 1.0 CG C:HIS136 4.4 20.9 1.0 O C:ILE144 4.4 19.8 1.0 CG C:GLU119 4.5 14.7 1.0 NE1 C:TRP128 4.6 18.4 1.0 CD C:PRO130 4.7 20.4 1.0 CD1 C:TRP128 4.7 19.2 1.0 CA C:ASP129 4.8 18.7 1.0

M.B.Shevtsov, I.N.Tsygannik. Pea Lectin-Sucrose Complex To Be Published.