Calcium in PDB 7bs3: Bovine Pancreatic Trypsin with 4-Bromo-Benzamidine (Cryo)

All present enzymatic activity of Bovine Pancreatic Trypsin with 4-Bromo-Benzamidine (Cryo):
3.4.21.4;

The structure of Bovine Pancreatic Trypsin with 4-Bromo-Benzamidine (Cryo), PDB code: 7bs3 was solved by M.Maeki, S.Ito, R.Takeda, T.Funakubo, G.Ueno, A.Ishida, H.Tani, M.Yamamoto, M.Tokeshi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.28 / 1.28
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.242, 56.897, 66.667, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 19.1

The structure of Bovine Pancreatic Trypsin with 4-Bromo-Benzamidine (Cryo) also contains other interesting chemical elements:

Bromine

(Br)

1 atom

The binding sites of Calcium atom in the Bovine Pancreatic Trypsin with 4-Bromo-Benzamidine (Cryo) (pdb code 7bs3). 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 Pancreatic Trypsin with 4-Bromo-Benzamidine (Cryo), PDB code: 7bs3:

Calcium binding site 1 out of 1 in the Bovine Pancreatic Trypsin with 4-Bromo-Benzamidine (Cryo)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bovine Pancreatic Trypsin with 4-Bromo-Benzamidine (Cryo) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:8.8 occ:1.00 O A:VAL80 2.3 8.9 1.0 OE1 A:GLU75 2.3 9.1 1.0 OE2 A:GLU85 2.3 9.8 1.0 O A:ASN77 2.4 8.4 1.0 O A:HOH472 2.4 10.0 1.0 O A:HOH417 2.4 10.6 1.0 CD A:GLU75 3.4 8.9 1.0 CD A:GLU85 3.4 10.0 1.0 C A:VAL80 3.4 9.5 1.0 C A:ASN77 3.5 8.2 1.0 CG A:GLU85 3.7 9.3 1.0 OE2 A:GLU75 3.8 9.4 1.0 CA A:VAL81 4.1 11.3 1.0 N A:GLU82 4.1 10.9 1.0 N A:VAL81 4.2 9.7 1.0 CA A:ILE78 4.2 8.3 1.0 N A:VAL80 4.2 7.8 1.0 OE1 A:GLU82 4.3 11.7 1.0 N A:ILE78 4.3 8.2 1.0 H12 A:DMS303 4.4 6.3 0.9 N A:ASN77 4.4 8.8 1.0 CA A:VAL80 4.4 9.1 1.0 O A:HOH500 4.5 11.3 1.0 CA A:ASN77 4.5 9.8 1.0 C A:ILE78 4.5 8.3 1.0 OE1 A:GLU85 4.5 10.9 1.0 CG A:GLU82 4.5 12.8 1.0 H11 A:DMS303 4.5 6.3 0.9 N A:ASP76 4.6 8.8 1.0 C A:VAL81 4.6 11.5 1.0 CG A:GLU75 4.6 7.9 1.0 CA A:GLU75 4.7 8.1 1.0 CB A:GLU82 4.8 11.2 1.0 O A:ILE78 4.8 8.1 1.0 CD A:GLU82 4.8 14.9 1.0 CB A:GLU75 4.8 8.9 1.0 CB A:ASN77 4.9 9.6 1.0 C1 A:DMS303 4.9 5.3 0.9 N A:ASN79 4.9 7.5 1.0 C A:ASP76 5.0 9.4 1.0

R.Takeda, S.Ito, M.Maeki, T.Funakubo, G.Ueno, A.Ishida, H.Tani, M.Yamamoto, M.Tokeshi. Room Temperature Crystallography Using A Microfluidic Protein Crystal Array Device and Its Application to Protein-Ligand Complex Structure Analysis Chem Sci 2020.
ISSN: ESSN 2041-6539
DOI: 10.1039/D0SC02117B