Calcium in PDB 6qih: Pancreatic Bovine Trypsin with A Boronic Acid Inhibitor

All present enzymatic activity of Pancreatic Bovine Trypsin with A Boronic Acid Inhibitor:
3.4.21.4;

The structure of Pancreatic Bovine Trypsin with A Boronic Acid Inhibitor, PDB code: 6qih was solved by T.Santos-Silva, H.D.Correia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.15 / 1.42
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.490, 56.710, 66.500, 90.00, 90.00, 90.00
R / Rfree (%)	9.5 / 13.3

The binding sites of Calcium atom in the Pancreatic Bovine Trypsin with A Boronic Acid Inhibitor (pdb code 6qih). 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 Pancreatic Bovine Trypsin with A Boronic Acid Inhibitor, PDB code: 6qih:

Calcium binding site 1 out of 1 in the Pancreatic Bovine Trypsin with A Boronic Acid Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Pancreatic Bovine Trypsin with A Boronic Acid Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:9.0 occ:1.00 OE1 A:GLU70 2.2 9.6 1.0 O A:VAL75 2.3 9.7 1.0 OE2 A:GLU80 2.3 9.5 1.0 O A:ASN72 2.3 9.9 1.0 O A:HOH414 2.3 10.3 1.0 O A:HOH487 2.3 10.9 1.0 CD A:GLU70 3.3 8.8 1.0 CD A:GLU80 3.4 9.7 1.0 C A:VAL75 3.4 8.8 1.0 C A:ASN72 3.5 9.1 1.0 CG A:GLU80 3.7 11.6 1.0 OE2 A:GLU70 3.8 9.9 1.0 CA A:VAL76 4.1 11.0 1.0 N A:GLU77 4.1 11.9 1.0 N A:VAL76 4.1 10.4 1.0 OE1 A:GLU77 4.2 13.3 1.0 N A:VAL75 4.2 8.0 1.0 CA A:ILE73 4.3 11.6 1.0 N A:ILE73 4.3 10.2 1.0 N A:ASN72 4.4 9.8 1.0 CA A:ASN72 4.4 10.5 1.0 CA A:VAL75 4.4 8.8 1.0 O A:HOH494 4.5 11.6 1.0 CG A:GLU77 4.5 14.5 1.0 OE1 A:GLU80 4.5 11.6 1.0 C A:ILE73 4.5 9.0 1.0 N A:ASP71 4.6 8.4 1.0 CG A:GLU70 4.6 8.5 1.0 C A:VAL76 4.6 11.5 1.0 CA A:GLU70 4.7 8.6 1.0 CB A:ASN72 4.8 10.4 1.0 CB A:GLU77 4.8 13.7 1.0 CD A:GLU77 4.8 13.6 1.0 CB A:GLU70 4.8 8.1 1.0 O A:ILE73 4.9 11.1 1.0 N A:ASN74 4.9 8.3 1.0 C A:ASP71 5.0 8.6 1.0

T.Santos-Silva, H.D.Correia. Pancreatic Bovine Trypsin with A Boronic Acid Inhibitor To Be Published.