Chlorine in PDB 7bsa: Bovine Pancreatic Trypsin with 5-Chlorotryptamine (Cryo)

All present enzymatic activity of Bovine Pancreatic Trypsin with 5-Chlorotryptamine (Cryo):
3.4.21.4;

The structure of Bovine Pancreatic Trypsin with 5-Chlorotryptamine (Cryo), PDB code: 7bsa 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)	44.00 / 1.22
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.381, 58.572, 66.661, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 16.7

The structure of Bovine Pancreatic Trypsin with 5-Chlorotryptamine (Cryo) also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Bovine Pancreatic Trypsin with 5-Chlorotryptamine (Cryo) (pdb code 7bsa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Bovine Pancreatic Trypsin with 5-Chlorotryptamine (Cryo), PDB code: 7bsa:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Bovine Pancreatic Trypsin with 5-Chlorotryptamine (Cryo)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bovine Pancreatic Trypsin with 5-Chlorotryptamine (Cryo) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl902 b:12.3 occ:0.43 CL A:6SO902 0.0 12.3 0.4 CL A:6SO902 0.9 11.4 0.6 C6 A:6SO902 1.7 8.7 0.4 C6 A:6SO902 1.9 10.0 0.6 C5 A:6SO902 2.7 10.6 0.4 C1 A:6SO902 2.7 10.4 0.4 H1 A:6SO902 2.8 12.5 0.4 C1 A:6SO902 2.8 8.4 0.6 H8 A:6SO902 2.8 12.7 0.4 C5 A:6SO902 2.8 11.2 0.6 H1 A:6SO902 2.9 10.2 0.6 H8 A:6SO902 2.9 13.4 0.6 SG A:CYS856 3.0 15.8 1.0 C A:GLY855 3.8 9.6 1.0 CA A:GLY855 3.8 11.4 1.0 O A:HOH1168 4.0 26.1 1.0 C2 A:6SO902 4.0 10.9 0.4 C4 A:6SO902 4.0 9.6 0.4 O A:GLY855 4.0 10.6 1.0 C2 A:6SO902 4.0 11.2 0.6 C4 A:6SO902 4.1 9.7 0.6 N A:CYS856 4.1 10.1 1.0 SG A:CYS832 4.3 12.2 1.0 C3 A:6SO902 4.5 10.4 0.4 CB A:CYS856 4.5 14.6 1.0 C3 A:6SO902 4.5 10.4 0.6 O A:HOH1182 4.5 13.8 1.0 N A:GLN833 4.6 9.1 1.0 N A:GLY855 4.6 10.3 1.0 CB A:GLN833 4.6 10.6 1.0 H2 A:6SO902 4.7 13.1 0.4 O A:HOH1161 4.8 16.9 1.0 H2 A:6SO902 4.8 13.5 0.6 CA A:CYS856 4.9 10.8 1.0 OE1 A:GLN833 4.9 25.2 1.0

Chlorine binding site 2 out of 2 in the Bovine Pancreatic Trypsin with 5-Chlorotryptamine (Cryo)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Bovine Pancreatic Trypsin with 5-Chlorotryptamine (Cryo) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl902 b:11.4 occ:0.57 CL A:6SO902 0.0 11.4 0.6 CL A:6SO902 0.9 12.3 0.4 C6 A:6SO902 1.7 10.0 0.6 C6 A:6SO902 1.8 8.7 0.4 C5 A:6SO902 2.7 10.6 0.4 C5 A:6SO902 2.7 11.2 0.6 C1 A:6SO902 2.7 8.4 0.6 C1 A:6SO902 2.8 10.4 0.4 H1 A:6SO902 2.8 10.2 0.6 H8 A:6SO902 2.8 12.7 0.4 H8 A:6SO902 2.8 13.4 0.6 H1 A:6SO902 2.9 12.5 0.4 CA A:GLY855 3.4 11.4 1.0 SG A:CYS856 3.6 15.8 1.0 C A:GLY855 3.6 9.6 1.0 O A:HOH1182 3.7 13.8 1.0 O A:GLY855 3.8 10.6 1.0 C4 A:6SO902 3.9 9.6 0.4 C2 A:6SO902 4.0 10.9 0.4 C2 A:6SO902 4.0 11.2 0.6 C4 A:6SO902 4.0 9.7 0.6 N A:GLY855 4.0 10.3 1.0 N A:CYS856 4.3 10.1 1.0 C3 A:6SO902 4.4 10.4 0.4 C3 A:6SO902 4.5 10.4 0.6 O A:HOH1168 4.7 26.1 1.0 H2 A:6SO902 4.7 13.1 0.4 H2 A:6SO902 4.7 13.5 0.6 O A:HOH1161 5.0 16.9 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