Manganese in PDB 2tep: Peanut Lectin Complexed with T-Antigenic Disaccharide

The structure of Peanut Lectin Complexed with T-Antigenic Disaccharide, PDB code: 2tep was solved by R.Ravishankar, M.Ravindran, K.Suguna, A.Surolia, M.Vijayan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	129.892, 126.676, 76.516, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 25.1

The structure of Peanut Lectin Complexed with T-Antigenic Disaccharide also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Manganese atom in the Peanut Lectin Complexed with T-Antigenic Disaccharide (pdb code 2tep). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Peanut Lectin Complexed with T-Antigenic Disaccharide, PDB code: 2tep:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Peanut Lectin Complexed with T-Antigenic Disaccharide


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Peanut Lectin Complexed with T-Antigenic Disaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn238 b:32.3 occ:1.00 O A:HOH379 1.9 2.1 1.0 OD1 A:ASP132 2.1 10.2 1.0 OE2 A:GLU121 2.2 6.2 1.0 O A:HOH378 2.3 2.0 1.0 NE2 A:HIS137 2.4 2.0 1.0 OD2 A:ASP123 2.5 2.0 1.0 CG A:ASP132 3.1 14.3 1.0 CD A:GLU121 3.2 3.8 1.0 OD2 A:ASP132 3.3 21.0 1.0 CD2 A:HIS137 3.3 2.0 1.0 CE1 A:HIS137 3.4 2.0 1.0 CG A:ASP123 3.4 9.3 1.0 OE1 A:GLU121 3.6 3.0 1.0 CB A:ASP123 3.6 7.2 1.0 O A:HOH376 3.9 11.9 1.0 O A:HOH338 4.0 10.1 1.0 O A:VAL145 4.2 13.1 1.0 CA A:CA237 4.3 20.2 1.0 CB A:ASP132 4.4 12.7 1.0 OG A:SER147 4.4 2.0 1.0 CG A:GLU121 4.4 10.3 1.0 ND1 A:HIS137 4.5 3.0 1.0 CG A:HIS137 4.5 2.1 1.0 OD1 A:ASP123 4.5 10.9 1.0 CD A:PRO133 4.7 12.9 1.0 CA A:ASP132 4.8 16.2 1.0

Manganese binding site 2 out of 4 in the Peanut Lectin Complexed with T-Antigenic Disaccharide


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Peanut Lectin Complexed with T-Antigenic Disaccharide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn238 b:29.6 occ:1.00 O B:HOH392 2.0 2.0 1.0 O B:HOH393 2.0 2.0 1.0 OD2 B:ASP123 2.0 2.0 1.0 OD1 B:ASP132 2.2 6.4 1.0 OE1 B:GLU121 2.4 5.0 1.0 NE2 B:HIS137 2.4 3.1 1.0 CG B:ASP123 3.1 4.7 1.0 CG B:ASP132 3.1 11.2 1.0 CD B:GLU121 3.3 2.0 1.0 CD2 B:HIS137 3.3 3.7 1.0 CE1 B:HIS137 3.4 2.1 1.0 OD2 B:ASP132 3.5 3.0 1.0 CB B:ASP123 3.5 4.9 1.0 OE2 B:GLU121 3.5 2.0 1.0 CA B:CA237 3.9 2.0 1.0 O B:HOH390 4.0 19.6 1.0 OD1 B:ASP123 4.1 9.2 1.0 O B:VAL145 4.3 12.4 1.0 CB B:ASP132 4.4 9.6 1.0 ND1 B:HIS137 4.5 2.0 1.0 CG B:HIS137 4.5 2.0 1.0 OG B:SER147 4.5 2.0 1.0 CG B:GLU121 4.7 8.9 1.0 CD B:PRO133 4.7 14.7 1.0 CA B:ASP132 4.8 14.6 1.0 CA B:ASP123 5.0 4.6 1.0

Manganese binding site 3 out of 4 in the Peanut Lectin Complexed with T-Antigenic Disaccharide


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Peanut Lectin Complexed with T-Antigenic Disaccharide within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn238 b:26.5 occ:1.00 OD1 C:ASP132 2.0 8.7 1.0 O C:HOH342 2.0 2.7 1.0 OE2 C:GLU121 2.2 2.0 1.0 NE2 C:HIS137 2.3 11.7 1.0 OD2 C:ASP123 2.5 9.7 1.0 CG C:ASP132 3.0 9.6 1.0 CD2 C:HIS137 3.2 7.0 1.0 CD C:GLU121 3.3 6.6 1.0 CE1 C:HIS137 3.3 8.9 1.0 OD2 C:ASP132 3.4 15.3 1.0 CG C:ASP123 3.5 10.4 1.0 OE1 C:GLU121 3.6 6.8 1.0 CB C:ASP123 3.8 8.6 1.0 OG C:SER147 4.2 16.9 1.0 CD C:PRO133 4.2 10.4 1.0 O C:HOH340 4.3 35.1 1.0 CB C:ASP132 4.3 8.0 1.0 O C:VAL145 4.3 2.9 1.0 CG C:HIS137 4.4 6.5 1.0 ND1 C:HIS137 4.4 6.5 1.0 CA C:CA237 4.5 18.0 1.0 CA C:ASP132 4.6 14.5 1.0 CG C:GLU121 4.6 9.5 1.0 OD1 C:ASP123 4.7 12.8 1.0 CG2 C:THR150 4.9 14.3 1.0 CB C:SER147 5.0 13.6 1.0

Manganese binding site 4 out of 4 in the Peanut Lectin Complexed with T-Antigenic Disaccharide


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Peanut Lectin Complexed with T-Antigenic Disaccharide within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn238 b:28.3 occ:1.00 O D:HOH362 1.9 2.0 1.0 OE2 D:GLU121 1.9 2.5 1.0 NE2 D:HIS137 2.3 4.8 1.0 OD1 D:ASP132 2.4 2.0 1.0 OD2 D:ASP123 2.5 4.2 1.0 O D:HOH363 2.5 2.1 1.0 CD D:GLU121 2.9 6.5 1.0 CD2 D:HIS137 3.2 3.1 1.0 CE1 D:HIS137 3.3 2.0 1.0 CG D:ASP123 3.3 3.9 1.0 OE1 D:GLU121 3.3 4.4 1.0 CG D:ASP132 3.4 4.2 1.0 CB D:ASP123 3.5 2.5 1.0 OD2 D:ASP132 3.6 2.0 1.0 CA D:CA237 4.2 16.1 1.0 O D:VAL145 4.2 8.5 1.0 CG D:GLU121 4.3 7.9 1.0 OG D:SER147 4.3 2.0 1.0 O D:HOH360 4.4 2.0 1.0 CG D:HIS137 4.4 2.9 1.0 ND1 D:HIS137 4.4 7.7 1.0 OD1 D:ASP123 4.5 9.4 1.0 CB D:ASP132 4.7 6.0 1.0 O D:HOH319 4.7 26.3 1.0 CD D:PRO133 4.8 10.6 1.0 CA D:ASP123 5.0 5.1 1.0

R.Ravishankar, M.Ravindran, K.Suguna, A.Surolia, M.Vijayan. The Specificity of Peanut Agglutinin For Thomsen-Friedenreich Antigen Is Mediated By Water-Bridges Curr.Sci. V. 72 855 1997.
ISSN: ISSN 0011-3891