Calcium in PDB 2g81: Crystal Structure of the Bowman-Birk Inhibitor From Vigna Unguiculata Seeds in Complex with Beta-Trypsin at 1.55 Angstrons Resolution

The structure of Crystal Structure of the Bowman-Birk Inhibitor From Vigna Unguiculata Seeds in Complex with Beta-Trypsin at 1.55 Angstrons Resolution, PDB code: 2g81 was solved by S.M.Freitas, J.A.R.G.Barbosa, L.S.Paulino, R.C.L.Teles, G.F.Esteves, M.M.Ventura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.497, 61.109, 79.264, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 16.9

The binding sites of Calcium atom in the Crystal Structure of the Bowman-Birk Inhibitor From Vigna Unguiculata Seeds in Complex with Beta-Trypsin at 1.55 Angstrons Resolution (pdb code 2g81). 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 the Bowman-Birk Inhibitor From Vigna Unguiculata Seeds in Complex with Beta-Trypsin at 1.55 Angstrons Resolution, PDB code: 2g81:

Calcium binding site 1 out of 1 in the Crystal Structure of the Bowman-Birk Inhibitor From Vigna Unguiculata Seeds in Complex with Beta-Trypsin at 1.55 Angstrons Resolution


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 the Bowman-Birk Inhibitor From Vigna Unguiculata Seeds in Complex with Beta-Trypsin at 1.55 Angstrons Resolution within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca401 b:23.9 occ:1.00 OE1 E:GLU70 2.2 17.8 1.0 O E:VAL75 2.3 16.9 1.0 OE2 E:GLU80 2.3 17.6 1.0 O E:ASN72 2.3 15.0 1.0 O E:HOH742 2.4 17.3 1.0 O E:HOH746 2.5 20.9 1.0 CD E:GLU70 3.3 15.8 1.0 CD E:GLU80 3.4 18.8 1.0 C E:VAL75 3.4 17.4 1.0 C E:ASN72 3.4 14.8 1.0 OE2 E:GLU70 3.7 17.9 1.0 CG E:GLU80 3.7 18.3 1.0 N E:GLU77 4.0 19.3 1.0 CA E:VAL76 4.0 19.0 1.0 N E:VAL76 4.1 17.6 1.0 CA E:ILE73 4.1 14.3 1.0 OE1 E:GLU77 4.2 17.2 0.5 N E:VAL75 4.2 15.6 1.0 N E:ILE73 4.2 14.8 1.0 CG E:GLU77 4.2 20.4 0.5 N E:ASN72 4.3 14.9 1.0 OE1 E:GLU77 4.3 22.7 0.5 CA E:ASN72 4.3 14.8 1.0 CA E:VAL75 4.4 16.9 1.0 C E:ILE73 4.4 13.9 1.0 N E:ASP71 4.5 14.8 1.0 CG E:GLU77 4.5 18.7 0.5 C E:VAL76 4.5 19.4 1.0 OE1 E:GLU80 4.5 19.9 1.0 O E:HOH744 4.5 21.3 1.0 CG E:GLU70 4.6 15.3 1.0 CB E:GLU77 4.6 19.8 0.5 CB E:GLU77 4.6 19.4 0.5 CB E:ASN72 4.7 15.0 1.0 CA E:GLU70 4.7 14.8 1.0 CD E:GLU77 4.8 18.9 0.5 CB E:GLU70 4.8 15.1 1.0 N E:ASN74 4.8 15.0 1.0 CD E:GLU77 4.8 22.1 0.5 O E:ILE73 4.8 15.4 1.0 O E:HOH803 4.9 37.7 1.0 CA E:GLU77 4.9 19.8 0.5 CA E:GLU77 4.9 19.6 0.5 C E:ASP71 4.9 15.7 1.0

J.A.R.G.Barbosa, L.P.Silva, R.C.L.Teles, G.F.Esteves, R.B.Azevedo, M.M.Ventura, S.M.Freitas. Crystal Structure of the Bowman-Birk Inhibitor From Vigna Unguiculata Seeds in Complex with {Beta}-Trypsin at 1.55 A Resolution and Its Structural Properties in Association with Proteinases Biophys.J. V. 92 1638 2007.
ISSN: ISSN 0006-3495
PubMed: 17142290
DOI: 10.1529/BIOPHYSJ.106.090555