Manganese in PDB 4xxa: Crystal Structure of A Recombinant Vatairea Macrocarpa Seed Lectin

The structure of Crystal Structure of A Recombinant Vatairea Macrocarpa Seed Lectin, PDB code: 4xxa was solved by B.L.Sousa, J.C.Silva-Filho, P.Kumar, A.Lyskowski, G.A.Bezerra, P.Delatorre, B.A.M.Rocha, R.M.S.Cunha, C.S.Nagano, K.Gruber, B.S.Cavada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	83.21 / 1.90
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	96.083, 96.083, 85.099, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 23.5

The structure of Crystal Structure of A Recombinant Vatairea Macrocarpa Seed Lectin also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Manganese atom in the Crystal Structure of A Recombinant Vatairea Macrocarpa Seed Lectin (pdb code 4xxa). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of A Recombinant Vatairea Macrocarpa Seed Lectin, PDB code: 4xxa:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of A Recombinant Vatairea Macrocarpa Seed Lectin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of A Recombinant Vatairea Macrocarpa Seed Lectin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:35.2 occ:1.00 O A:HOH465 2.0 30.0 1.0 NE2 A:HIS138 2.1 39.4 1.0 OE2 A:GLU124 2.2 35.6 1.0 O A:HOH437 2.3 30.0 1.0 OD1 A:ASP133 2.3 37.3 1.0 OD2 A:ASP126 2.3 31.9 1.0 CE1 A:HIS138 3.0 40.6 1.0 CD A:GLU124 3.1 34.5 1.0 CG A:ASP133 3.1 41.6 1.0 CD2 A:HIS138 3.2 39.2 1.0 OE1 A:GLU124 3.2 37.9 1.0 CG A:ASP126 3.3 31.4 1.0 OD2 A:ASP133 3.4 41.3 1.0 CB A:ASP126 3.6 30.5 1.0 O A:HOH429 4.0 30.0 1.0 CA A:CA301 4.1 35.2 1.0 ND1 A:HIS138 4.2 38.3 1.0 CB A:ASP133 4.3 44.8 1.0 CG A:HIS138 4.3 36.5 1.0 O A:ILE146 4.4 37.9 1.0 OG A:SER148 4.4 34.8 1.0 OD1 A:ASP126 4.5 33.4 1.0 O A:HOH462 4.5 30.0 1.0 CG A:GLU124 4.5 33.7 1.0 NE1 A:TRP132 4.5 42.4 1.0 CD1 A:TRP132 4.7 43.5 1.0 CA A:ASP133 4.8 42.7 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of A Recombinant Vatairea Macrocarpa Seed Lectin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of A Recombinant Vatairea Macrocarpa Seed Lectin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn302 b:35.2 occ:1.00 O B:HOH426 2.2 29.6 1.0 O B:HOH472 2.2 27.4 1.0 OD1 B:ASP133 2.2 29.0 1.0 OE2 B:GLU124 2.3 28.5 1.0 NE2 B:HIS138 2.3 29.5 1.0 OD2 B:ASP126 2.4 31.1 1.0 CD B:GLU124 3.1 28.6 1.0 CG B:ASP133 3.1 34.0 1.0 CE1 B:HIS138 3.2 30.6 1.0 CD2 B:HIS138 3.3 30.2 1.0 OE1 B:GLU124 3.3 28.4 1.0 CG B:ASP126 3.4 26.7 1.0 OD2 B:ASP133 3.5 32.2 1.0 CB B:ASP126 3.6 28.3 1.0 O B:HOH427 3.9 30.0 1.0 CA B:CA301 4.1 35.2 1.0 OG B:SER148 4.2 29.8 1.0 CB B:ASP133 4.3 33.3 1.0 ND1 B:HIS138 4.4 33.5 1.0 O B:ILE146 4.4 30.8 1.0 CG B:HIS138 4.4 31.8 1.0 CG B:GLU124 4.5 29.3 1.0 NE1 B:TRP132 4.5 40.3 1.0 O B:HOH465 4.5 30.0 1.0 OD1 B:ASP126 4.5 26.3 1.0 CD1 B:TRP132 4.5 36.5 1.0 CA B:ASP133 4.8 36.4 1.0

B.L.Sousa, J.C.Silva-Filho, P.Kumar, A.Lyskowski, G.A.Bezerra, P.Delatorre, B.A.M.Rocha, R.M.S.Cunha, C.S.Nagano, K.Gruber, B.S.Cavada. Crystal Structure of A Recombinant Vatairea Macrocarpa Seed Lectin Int.J.Biochem.Cell Biol. 2016.
ISSN: ISSN 1357-2725