Manganese in PDB 4u2a: Structure of A Lectin From the Seeds of Vatairea Macrocarpa Complexed with Galnac

The structure of Structure of A Lectin From the Seeds of Vatairea Macrocarpa Complexed with Galnac, PDB code: 4u2a was solved by B.L.Sousa, J.C.Silva-Filho, P.Kumar, A.Lyskowski, G.A.Bezerra, P.Delatorre, B.A.M.Rocha, 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)	71.35 / 1.74
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	56.262, 85.520, 129.416, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 18.8

The structure of Structure of A Lectin From the Seeds of Vatairea Macrocarpa Complexed with Galnac also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Manganese atom in the Structure of A Lectin From the Seeds of Vatairea Macrocarpa Complexed with Galnac (pdb code 4u2a). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Structure of A Lectin From the Seeds of Vatairea Macrocarpa Complexed with Galnac, PDB code: 4u2a:

Manganese binding site 1 out of 1 in the Structure of A Lectin From the Seeds of Vatairea Macrocarpa Complexed with Galnac


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of A Lectin From the Seeds of Vatairea Macrocarpa Complexed with Galnac within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:24.9 occ:1.00 OE2 A:GLU123 2.1 9.7 1.0 OD1 A:ASP132 2.1 8.9 1.0 OD2 A:ASP125 2.2 9.2 1.0 O A:HOH454 2.2 9.1 1.0 O A:HOH540 2.2 16.0 1.0 NE2 A:HIS137 2.3 10.3 1.0 CE1 A:HIS137 3.1 11.6 1.0 CD A:GLU123 3.1 10.1 1.0 CG A:ASP132 3.2 10.1 1.0 CG A:ASP125 3.2 8.8 1.0 CD2 A:HIS137 3.4 10.9 1.0 OE1 A:GLU123 3.5 11.8 1.0 CB A:ASP125 3.6 8.5 1.0 OD2 A:ASP132 3.7 10.8 1.0 O A:HOH462 3.9 8.9 1.0 CA A:CA301 4.1 9.9 1.0 OG A:SER147 4.2 8.3 1.0 CB A:ASP132 4.3 10.6 1.0 ND1 A:HIS137 4.3 11.4 1.0 O A:ILE145 4.3 11.0 1.0 OD1 A:ASP125 4.3 8.7 1.0 O A:HOH449 4.3 14.4 1.0 CG A:GLU123 4.4 8.7 1.0 CG A:HIS137 4.5 10.2 1.0 NE1 A:TRP131 4.6 13.7 1.0 CD1 A:TRP131 4.6 13.2 1.0 CA A:ASP132 4.8 12.2 1.0 CD A:PRO133 4.9 13.8 1.0

B.L.Sousa, J.C.Silva Filho, P.Kumar, R.I.Pereira, A.Yskowski, B.A.Rocha, P.Delatorre, G.A.Bezerra, C.S.Nagano, K.Gruber, B.S.Cavada. High-Resolution Structure of A New Tn Antigen-Binding Lectin From Vatairea Macrocarpa and A Comparative Analysis of Tn-Binding Legume Lectins. Int.J.Biochem.Cell Biol. V. 59C 103 2014.
ISSN: ISSN 1357-2725
PubMed: 25499445
DOI: 10.1016/J.BIOCEL.2014.12.002