Calcium in PDB 2b7y: Fava Bean Lectin-Glucose Complex

The structure of Fava Bean Lectin-Glucose Complex, PDB code: 2b7y was solved by G.N.Reeke Jr., J.W.Becker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.18 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	90.000, 89.300, 67.400, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 30

The structure of Fava Bean Lectin-Glucose Complex also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Calcium atom in the Fava Bean Lectin-Glucose Complex (pdb code 2b7y). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Fava Bean Lectin-Glucose Complex, PDB code: 2b7y:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Fava Bean Lectin-Glucose Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Fava Bean Lectin-Glucose Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:13.0 occ:1.00 OD2 A:ASP130 2.1 17.0 1.0 OD2 A:ASP122 2.3 18.9 1.0 O A:PHE124 2.3 25.1 1.0 O A:HOH701 2.4 3.3 1.0 OD1 A:ASN126 2.4 25.4 1.0 OD1 A:ASP122 2.5 20.7 1.0 O A:HOH703 2.6 16.0 1.0 CG A:ASP122 2.7 21.1 1.0 CG A:ASP130 3.0 23.2 1.0 OD1 A:ASP130 3.2 17.4 1.0 C A:PHE124 3.5 25.6 1.0 CG A:ASN126 3.5 25.1 1.0 MN A:MN501 3.9 13.2 1.0 NE1 A:TRP129 4.1 31.9 1.0 N A:ASN126 4.1 26.1 1.0 CB A:ASN126 4.2 25.8 1.0 CB A:ASP122 4.3 22.0 1.0 N A:PHE124 4.3 24.9 1.0 CA A:PHE124 4.3 25.5 1.0 CB A:ASP130 4.4 26.8 1.0 O A:ASP82 4.4 21.3 1.0 N A:TYR125 4.5 26.4 1.0 ND2 A:ASN126 4.6 23.1 1.0 CE1 A:HIS137 4.6 25.4 1.0 O A:HOH707 4.6 17.1 1.0 OD2 A:ASP82 4.7 16.0 1.0 CA A:TYR125 4.7 26.8 1.0 C A:TYR125 4.7 26.4 1.0 CB A:PHE124 4.7 25.4 1.0 NE2 A:HIS137 4.8 27.3 1.0 CE2 A:TRP129 4.8 31.2 1.0 CA A:ASN126 4.9 26.1 1.0 O A:GLY100 4.9 21.6 1.0 CZ2 A:TRP129 4.9 32.0 1.0

Calcium binding site 2 out of 2 in the Fava Bean Lectin-Glucose Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Fava Bean Lectin-Glucose Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca602 b:33.5 occ:1.00 O C:HOH709 2.2 78.7 1.0 OD1 C:ASP122 2.3 33.5 1.0 O C:PHE124 2.4 41.4 1.0 O C:HOH705 2.6 2.0 1.0 OD2 C:ASP130 2.6 46.6 1.0 OD2 C:ASP122 2.9 35.3 1.0 CG C:ASP122 3.0 32.9 1.0 OD1 C:ASN126 3.0 46.3 1.0 CG C:ASP130 3.6 49.0 1.0 C C:PHE124 3.6 41.2 1.0 CG C:ASN126 3.6 45.5 1.0 OD1 C:ASP130 3.7 45.9 1.0 O C:ASP82 3.9 35.9 1.0 ND2 C:ASN126 4.0 44.6 1.0 MN C:MN601 4.1 41.1 1.0 N C:PHE124 4.2 39.1 1.0 CA C:PHE124 4.3 40.4 1.0 CB C:PHE124 4.4 40.4 1.0 CB C:ASP122 4.4 32.7 1.0 CD1 C:PHE124 4.5 42.6 1.0 N C:ASN126 4.5 45.1 1.0 O C:GLY100 4.6 41.9 1.0 N C:TYR125 4.7 42.5 1.0 CB C:ASN126 4.7 45.5 1.0 CE1 C:HIS137 4.7 42.4 1.0 CZ2 C:TRP129 4.8 53.6 1.0 CA C:TYR125 4.9 44.0 1.0 NE1 C:TRP129 4.9 53.9 1.0 OD1 C:ASP82 4.9 39.3 1.0 CA C:ASP122 4.9 32.3 1.0 C C:TYR125 4.9 44.7 1.0 CG C:PHE124 5.0 41.8 1.0 CA C:GLY100 5.0 42.1 1.0

G.N.Reeke Jr., J.W.Becker. Three-Dimensional Structure of Favin: Saccharide Binding-Cyclic Permutation in Leguminous Lectins Science V. 234 1108 1986.
ISSN: ISSN 0036-8075
PubMed: 3775378