Bromine 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:

Calcium

(Ca)

1 atom

The binding sites of Bromine 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 Bromine atom.
In total only one binding site of Bromine was determined in the Bovine Pancreatic Trypsin with 4-Bromo-Benzamidine (Cryo), PDB code: 7bs3:

Bromine 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 Bromine with other atoms in the Br 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:Br302 b:13.5 occ:0.70 BR1 A:F5R302 0.0 13.5 0.7 C3 A:F5R302 1.9 9.1 0.7 C2 A:F5R302 2.8 12.3 0.7 C4 A:F5R302 2.8 10.0 0.7 H2 A:F5R302 2.9 14.7 0.7 H3 A:F5R302 2.9 12.0 0.7 OG A:SER200 3.3 12.8 1.0 O A:HOH622 3.7 16.8 1.0 O A:HOH462 3.7 16.0 1.0 CA A:GLN197 3.9 11.9 1.0 C1 A:F5R302 4.1 12.1 0.7 C5 A:F5R302 4.1 11.3 0.7 N A:GLN197 4.3 11.5 1.0 CB A:GLN197 4.4 17.9 1.0 NE2 A:HIS63 4.4 10.9 1.0 O A:SER215 4.6 10.0 1.0 CB A:SER200 4.7 11.8 1.0 C6 A:F5R302 4.7 8.5 0.7 C A:CYS196 4.7 9.5 1.0 O A:CYS196 4.7 10.7 1.0 H1 A:F5R302 4.9 14.5 0.7 H4 A:F5R302 4.9 13.6 0.7

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