Calcium in PDB 1taw: Bovine Trypsin Complexed to Appi

All present enzymatic activity of Bovine Trypsin Complexed to Appi:
3.4.21.4;

The structure of Bovine Trypsin Complexed to Appi, PDB code: 1taw was solved by T.R.Hynes, A.A.Kossiakoff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	94.050, 49.850, 68.800, 90.00, 96.31, 90.00
R / Rfree (%)	18.4 / n/a

The binding sites of Calcium atom in the Bovine Trypsin Complexed to Appi (pdb code 1taw). 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 Bovine Trypsin Complexed to Appi, PDB code: 1taw:

Calcium binding site 1 out of 1 in the Bovine Trypsin Complexed to Appi


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bovine Trypsin Complexed to Appi within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca246 b:14.8 occ:1.00 O A:VAL75 2.2 31.5 1.0 O A:HOH275 2.3 29.6 1.0 O A:ASN72 2.3 30.6 1.0 O A:HOH322 2.4 24.9 1.0 OE1 A:GLU70 2.4 36.8 1.0 OE2 A:GLU80 2.5 28.2 1.0 C A:VAL75 3.4 34.9 1.0 C A:ASN72 3.4 26.9 1.0 CD A:GLU70 3.6 32.4 1.0 CD A:GLU80 3.6 24.2 1.0 N A:ASN72 3.9 28.2 1.0 N A:GLU77 3.9 33.6 1.0 CA A:VAL76 4.0 34.8 1.0 CA A:ASN72 4.1 25.0 1.0 CG A:GLU80 4.1 22.6 1.0 OE2 A:GLU70 4.1 29.3 1.0 N A:VAL76 4.2 33.1 1.0 O A:HOH321 4.2 33.1 1.0 CB A:ASN72 4.2 29.5 1.0 CD A:GLU77 4.2 69.5 1.0 OE2 A:GLU77 4.3 70.0 1.0 N A:VAL75 4.4 32.7 1.0 CA A:VAL75 4.4 32.4 1.0 CG A:GLU77 4.4 59.5 1.0 C A:VAL76 4.5 35.7 1.0 N A:ILE73 4.5 26.8 1.0 N A:ASP71 4.5 27.3 1.0 CB A:GLU77 4.6 40.2 1.0 OE1 A:GLU77 4.6 70.0 1.0 OE1 A:GLU80 4.6 28.1 1.0 CG A:GLU70 4.7 28.5 1.0 CA A:ILE73 4.7 30.2 1.0 CB A:VAL75 4.9 36.3 1.0 C A:ASP71 4.9 26.1 1.0 CA A:GLU77 4.9 36.8 1.0 C A:ILE73 5.0 31.9 1.0

A.J.Scheidig, T.R.Hynes, L.A.Pelletier, J.A.Wells, A.A.Kossiakoff. Crystal Structures of Bovine Chymotrypsin and Trypsin Complexed to the Inhibitor Domain of Alzheimer'S Amyloid Beta-Protein Precursor (Appi) and Basic Pancreatic Trypsin Inhibitor (Bpti): Engineering of Inhibitors with Altered Specificities. Protein Sci. V. 6 1806 1997.
ISSN: ISSN 0961-8368
PubMed: 9300481