Calcium in PDB 4u36: Crystal Structure of A Seed Lectin From Vatairea Macrocarpa Complexed with Tn-Antigen

The structure of Crystal Structure of A Seed Lectin From Vatairea Macrocarpa Complexed with Tn-Antigen, PDB code: 4u36 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)	71.46 / 1.40
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	56.076, 85.808, 129.057, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 19.7

The structure of Crystal Structure of A Seed Lectin From Vatairea Macrocarpa 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 Seed Lectin From Vatairea Macrocarpa Complexed with Tn-Antigen (pdb code 4u36). 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 Seed Lectin From Vatairea Macrocarpa Complexed with Tn-Antigen, PDB code: 4u36:

Calcium binding site 1 out of 1 in the Crystal Structure of A Seed Lectin From Vatairea Macrocarpa 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 Seed Lectin From Vatairea Macrocarpa Complexed with Tn-Antigen within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:8.5 occ:1.00 OD2 A:ASP125 2.3 10.5 1.0 O A:PHE127 2.3 11.8 1.0 OD1 A:ASN129 2.4 9.8 1.0 OD2 A:ASP132 2.4 8.9 1.0 O A:HOH501 2.4 8.6 1.0 O A:HOH488 2.4 9.4 1.0 OD1 A:ASP125 2.5 10.7 1.0 CG A:ASP125 2.7 8.5 1.0 CG A:ASP132 3.4 9.5 1.0 C A:PHE127 3.5 9.4 1.0 CG A:ASN129 3.5 9.9 1.0 OD1 A:ASP132 3.8 10.4 1.0 N A:ASN129 4.0 8.8 1.0 MN A:MN301 4.1 13.3 1.0 CB A:ASN129 4.2 10.6 1.0 CB A:ASP125 4.2 9.7 1.0 O A:HOH503 4.3 9.0 1.0 CA A:PHE127 4.3 8.2 1.0 NE1 A:TRP131 4.3 11.8 1.0 N A:PHE127 4.3 8.2 1.0 CB A:PHE127 4.5 8.0 1.0 N A:SER128 4.5 9.3 1.0 OD1 A:ASP87 4.6 9.1 1.0 O A:GLY105 4.6 8.8 1.0 ND2 A:ASN129 4.6 9.6 1.0 CB A:ASP132 4.6 9.2 1.0 CA A:SER128 4.7 9.3 1.0 C A:SER128 4.7 9.4 1.0 CA A:ASN129 4.8 9.2 1.0 CE1 A:HIS137 4.8 9.1 1.0 CD2 A:PHE127 4.8 10.7 1.0 CA A:GLY105 4.8 8.9 1.0 O A:ASP87 4.9 11.5 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