Calcium in PDB 2zbj: Crystal Structure of Dioclea Rostrata Lectin

The structure of Crystal Structure of Dioclea Rostrata Lectin, PDB code: 2zbj was solved by T.M.De Oliveira, P.Delatorre, B.A.M.Da Rocha, E.P.De Sousa, K.S.Nascimento, G.A.Bezerra, T.R.Moura, R.G.Benevides, E.H.S.Bezerra, F.B.M.B.Moreno, V.N.Freire, W.F.De Azevedo Jr., B.S.Cavada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.11 / 2.05
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	61.511, 88.220, 87.764, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 23.8

The structure of Crystal Structure of Dioclea Rostrata Lectin also contains other interesting chemical elements:

Manganese

(Mn)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Dioclea Rostrata Lectin (pdb code 2zbj). 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 Dioclea Rostrata Lectin, PDB code: 2zbj:

Calcium binding site 1 out of 1 in the Crystal Structure of Dioclea Rostrata Lectin


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 Dioclea Rostrata Lectin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca239 b:24.1 occ:1.00 O A:TYR12 2.3 22.8 1.0 O A:HOH323 2.3 17.9 1.0 OD2 A:ASP19 2.3 22.1 1.0 OD1 A:ASN14 2.4 26.8 1.0 OD1 A:ASP10 2.4 22.8 1.0 O A:HOH333 2.5 21.5 1.0 OD2 A:ASP10 2.5 26.9 1.0 CG A:ASP10 2.9 21.7 1.0 CG A:ASP19 3.4 22.1 1.0 C A:TYR12 3.5 22.7 1.0 CG A:ASN14 3.6 23.1 1.0 OD1 A:ASP19 3.9 20.1 1.0 N A:ASN14 3.9 23.4 1.0 CB A:ASN14 4.2 23.8 1.0 MN A:MN238 4.2 22.5 1.0 O A:HOH352 4.3 22.9 1.0 CA A:TYR12 4.3 21.9 1.0 CB A:ASP10 4.4 20.4 1.0 N A:PRO13 4.4 23.6 1.0 CA A:PRO13 4.5 24.1 1.0 CB A:TYR12 4.5 22.3 1.0 CE1 A:HIS24 4.5 18.8 1.0 C A:PRO13 4.5 24.3 1.0 CB A:ARG228 4.6 25.0 1.0 N A:TYR12 4.6 21.0 1.0 O A:ARG228 4.6 25.1 1.0 O A:ASP208 4.6 21.6 1.0 ND2 A:ASN14 4.6 21.9 1.0 CB A:ASP19 4.7 22.1 1.0 CA A:ASN14 4.7 24.1 1.0 OD1 A:ASP208 4.7 26.8 1.0 CA A:ARG228 4.7 24.9 1.0 NE2 A:HIS24 5.0 17.9 1.0

T.M.De Oliveira, P.Delatorre, B.A.M.Da Rocha, E.P.De Souza, K.S.Nascimento, G.A.Bezerra, T.R.Moura, R.G.Benevides, E.H.S.Bezerra, F.B.M.B.Moreno, V.N.Freire, W.F.De Azevedo Jr., B.S.Cavada. Crystal Structure of Dioclea Rostrata Lectin: Insights Into Understanding the pH-Dependent Dimer-Tetramer Equilibrium and the Structural Basis For Carbohydrate Recognition in Diocleinae Lectins J.Struct.Biol. V. 164 177 2008.
ISSN: ISSN 1047-8477
PubMed: 18682294
DOI: 10.1016/J.JSB.2008.05.012