Chlorine in PDB 9kk4: Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxine

All present enzymatic activity of Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxine:
3.4.21.4;

The structure of Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxine, PDB code: 9kk4 was solved by Z.Akbar, M.S.Ahmad, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.74 / 2.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.045, 57.75, 65.676, 90, 90, 90
R / Rfree (%)	19.9 / 26

The structure of Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxine also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxine (pdb code 9kk4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxine, PDB code: 9kk4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:41.8 occ:1.00 N A:SER166 3.6 21.5 1.0 CB A:SER166 3.8 20.2 1.0 OG A:SER166 3.9 20.6 1.0 CB A:ASP165 4.1 27.8 1.0 N A:ASP165 4.2 21.2 1.0 CA A:SER166 4.3 20.9 1.0 C A:ASP165 4.4 21.8 1.0 CA A:ASP165 4.4 23.4 1.0 OD2 A:ASP165 4.7 36.4 1.0 CB A:SER164 4.7 19.4 1.0 CG A:ASP165 4.9 31.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:35.9 occ:1.00 O A:HOH486 3.8 7.5 1.0 N A:GLY174 3.9 15.8 1.0 O A:HOH429 4.1 20.5 1.0 CA A:GLY174 4.3 15.2 1.0 CD A:LYS169 4.6 30.6 1.0 CB A:LYS169 4.7 24.3 1.0 CG A:LYS169 4.8 27.1 1.0 C A:PRO173 5.0 15.2 1.0

Z.Akbar, N.Shah, S.Mirza, S.Rasheed, M.S.Ahmad. The in Vitro and Crystallographic Studies Reveal the Inhibitory Potential of Vitamin B 6 Analogues Against A Serine Protease Trypsin. Int.J.Biol.Macromol. V. 308 42433 2025.
ISSN: ISSN 0141-8130
PubMed: 40132700
DOI: 10.1016/J.IJBIOMAC.2025.142433