Calcium in PDB 4xtp: Crystal Structure of A Recombinant Vatairea Macrocarpa Seed Lectin Complexed with Tn Antigen

The structure of Crystal Structure of A Recombinant Vatairea Macrocarpa Seed Lectin Complexed with Tn Antigen, PDB code: 4xtp 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)	71.55 / 1.97
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	56.093, 86.024, 128.877, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 25.4

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

Manganese

(Mn)

1 atom

The binding sites of Calcium atom in the Crystal Structure of A Recombinant Vatairea Macrocarpa Seed Lectin Complexed with Tn Antigen (pdb code 4xtp). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of A Recombinant Vatairea Macrocarpa Seed Lectin Complexed with Tn Antigen, PDB code: 4xtp:

Calcium binding site 1 out of 1 in the Crystal Structure of A Recombinant Vatairea Macrocarpa Seed Lectin Complexed with Tn Antigen


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of A Recombinant Vatairea Macrocarpa Seed Lectin Complexed with Tn Antigen within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:24.5 occ:1.00 O A:HOH425 2.3 22.6 1.0 O A:PHE127 2.3 24.0 1.0 O A:HOH435 2.3 24.1 1.0 OD2 A:ASP132 2.4 25.4 1.0 OD1 A:ASP125 2.5 22.8 1.0 OD1 A:ASN129 2.5 20.9 1.0 OD2 A:ASP125 2.6 19.8 1.0 CG A:ASP125 2.9 23.9 1.0 CG A:ASP132 3.4 26.4 1.0 C A:PHE127 3.5 22.9 1.0 CG A:ASN129 3.6 24.7 1.0 OD1 A:ASP132 3.7 21.9 1.0 N A:ASN129 4.0 24.8 1.0 MN A:MN302 4.1 29.9 1.0 CB A:ASN129 4.1 24.6 1.0 CA A:PHE127 4.3 23.6 1.0 O A:HOH434 4.3 18.4 1.0 N A:PHE127 4.3 24.5 1.0 NE1 A:TRP131 4.3 29.3 1.0 CB A:ASP125 4.4 24.6 1.0 O A:GLY105 4.4 24.5 1.0 N A:SER128 4.5 25.6 1.0 CB A:PHE127 4.6 23.9 1.0 OD1 A:ASP87 4.6 20.9 1.0 O A:ASP87 4.6 22.7 1.0 ND2 A:ASN129 4.7 26.3 1.0 CB A:ASP132 4.7 26.4 1.0 CA A:SER128 4.7 25.6 1.0 CA A:GLY105 4.7 22.9 1.0 CA A:ASN129 4.7 26.5 1.0 CE1 A:HIS137 4.8 23.6 1.0 C A:SER128 4.8 25.3 1.0 CD1 A:PHE127 4.9 24.7 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