Calcium in PDB 4k21: Crystal Structure of Canavalia Boliviana Lectin in Complex with Xman

The structure of Crystal Structure of Canavalia Boliviana Lectin in Complex with Xman, PDB code: 4k21 was solved by G.A.Bezerra, T.R.Moura, R.Viertlmayr, 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)	28.40 / 1.60
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	64.970, 66.590, 108.770, 90.00, 90.00, 90.00
R / Rfree (%)	14.6 / 19.2

The structure of Crystal Structure of Canavalia Boliviana Lectin in Complex with Xman also contains other interesting chemical elements:

Bromine	(Br)	1 atom
Manganese	(Mn)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the Crystal Structure of Canavalia Boliviana Lectin in Complex with Xman (pdb code 4k21). 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 Canavalia Boliviana Lectin in Complex with Xman, PDB code: 4k21:

Calcium binding site 1 out of 1 in the Crystal Structure of Canavalia Boliviana Lectin in Complex with Xman


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 Canavalia Boliviana Lectin in Complex with Xman within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:18.2 occ:1.00 OD1 A:ASN14 2.4 15.8 1.0 O A:HOH401 2.4 16.5 1.0 O A:TYR12 2.4 17.2 1.0 OD2 A:ASP19 2.4 17.6 1.0 O A:HOH403 2.5 19.7 1.0 OD1 A:ASP10 2.5 16.8 1.0 OD2 A:ASP10 2.6 14.8 1.0 CG A:ASP10 2.9 16.0 1.0 CG A:ASN14 3.5 16.8 1.0 CG A:ASP19 3.5 17.2 1.0 C A:TYR12 3.6 15.9 1.0 N A:ASN14 4.0 16.2 1.0 OD1 A:ASP19 4.0 17.6 1.0 CB A:ASN14 4.1 16.7 1.0 MN A:MN301 4.2 18.9 1.0 CB A:ASP10 4.4 15.2 1.0 CA A:TYR12 4.4 15.6 1.0 N A:TYR12 4.4 15.9 1.0 O A:HOH402 4.5 17.0 1.0 N A:PRO13 4.6 16.5 1.0 CA A:PRO13 4.6 17.4 1.0 ND2 A:ASN14 4.6 17.6 1.0 C A:PRO13 4.6 17.3 1.0 O A:ASP208 4.6 16.1 1.0 CB A:TYR12 4.6 16.2 1.0 CE1 A:HIS24 4.6 16.3 1.0 OD1 A:ASP208 4.7 16.9 1.0 CA A:ASN14 4.7 17.3 1.0 CB A:ARG228 4.7 17.5 1.0 CB A:ASP19 4.7 18.7 1.0 CD1 A:TYR12 4.8 16.3 1.0 CA A:ARG228 4.8 16.6 1.0 O A:ARG228 4.8 18.9 1.0 NE2 A:HIS24 5.0 17.1 1.0

G.A.Bezerra, R.Viertlmayr, T.R.Moura, P.Delatorre, B.A.Rocha, K.S.Do Nascimento, J.G.Figueiredo, I.G.Bezerra, C.S.Teixeira, R.C.Simoes, C.S.Nagano, N.M.De Alencar, K.Gruber, B.S.Cavada. Structural Studies of An Anti-Inflammatory Lectin From Canavalia Boliviana Seeds in Complex with Dimannosides. Plos One V. 9 97015 2014.
ISSN: ESSN 1932-6203
PubMed: 24865454
DOI: 10.1371/JOURNAL.PONE.0097015