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Chlorine in PDB 9kk5: Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxal

Enzymatic activity of Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxal

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

Protein crystallography data

The structure of Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxal, PDB code: 9kk5 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) 20.99 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 54.559, 58.123, 65.626, 90, 90, 90
R / Rfree (%) 16.8 / 23.2

Other elements in 9kk5:

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

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxal (pdb code 9kk5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxal, PDB code: 9kk5:

Chlorine binding site 1 out of 1 in 9kk5

Go back to Chlorine Binding Sites List in 9kk5
Chlorine binding site 1 out of 1 in the Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxal


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 Pyridoxal within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:55.3
occ:1.00
 O A:HOH680 2.9 37.6 1.0
N A:SER146 3.4 28.2 1.0
N A:SER147 3.8 34.2 1.0
CB A:LYS145 3.9 21.9 1.0
CB A:SER146 3.9 32.2 1.0
CA A:LYS145 4.0 19.8 1.0
CG A:LYS145 4.0 23.2 1.0
CA A:SER146 4.1 32.2 1.0
C A:LYS145 4.2 22.9 1.0
C A:SER146 4.5 32.6 1.0
CD A:LYS145 4.7 25.6 1.0
CA A:SER147 4.8 35.1 1.0
N A:GLY148 4.8 31.2 1.0
CB A:SER147 4.9 35.2 1.0
C A:SER147 4.9 34.9 1.0

Reference:

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
Page generated: Sun Jul 13 17:09:37 2025

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