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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 9kk4:

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

Chlorine (Cl) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium 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 Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxine, PDB code: 9kk4:

Calcium binding site 1 out of 1 in 9kk4

Go back to Calcium Binding Sites List in 9kk4
Calcium binding site 1 out of 1 in the Crystal Structure of Bovine Pancreatic Trypsin in Complex with Pyridoxine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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:Ca303

b:15.6
occ:1.00
 O A:VAL75 2.1 14.1 1.0
OE1 A:GLU70 2.3 11.5 1.0
O A:ASN72 2.3 12.2 1.0
OE2 A:GLU80 2.4 13.4 1.0
O A:HOH407 2.4 5.2 1.0
O A:HOH414 2.5 12.1 1.0
C A:VAL75 3.3 13.5 1.0
CD A:GLU70 3.3 12.3 1.0
CD A:GLU80 3.4 13.7 1.0
C A:ASN72 3.4 12.4 1.0
OE2 A:GLU70 3.7 12.1 1.0
CG A:GLU80 3.8 13.9 1.0
OE1 A:GLU77 3.9 18.2 1.0
N A:VAL76 4.0 13.4 1.0
CA A:VAL76 4.0 13.9 1.0
N A:GLU77 4.1 15.7 1.0
O A:HOH468 4.1 8.5 1.0
N A:VAL75 4.2 13.4 1.0
CA A:ILE73 4.3 11.9 1.0
N A:ILE73 4.3 11.9 1.0
CA A:VAL75 4.4 13.6 1.0
N A:ASN72 4.4 12.7 1.0
CA A:ASN72 4.4 12.5 1.0
CG A:GLU77 4.5 17.8 1.0
C A:VAL76 4.5 14.7 1.0
OE1 A:GLU80 4.5 13.4 1.0
C A:ILE73 4.6 11.9 1.0
N A:ASP71 4.6 14.9 1.0
CD A:GLU77 4.6 18.4 1.0
CG A:GLU70 4.6 12.6 1.0
CA A:GLU70 4.8 13.6 1.0
CB A:ASN72 4.8 12.3 1.0
N A:ASN74 4.9 12.4 1.0
CB A:GLU77 4.9 17.0 1.0
C A:ASP71 4.9 13.1 1.0
CB A:GLU70 5.0 13.3 1.0
O A:ILE73 5.0 10.7 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: Thu Jul 10 10:11:00 2025

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