Calcium in PDB 7brx: Bovine Pancreatic Trypsin with 5-Methoxytryptamine (Room Temperature)

All present enzymatic activity of Bovine Pancreatic Trypsin with 5-Methoxytryptamine (Room Temperature):
3.4.21.4;

The structure of Bovine Pancreatic Trypsin with 5-Methoxytryptamine (Room Temperature), PDB code: 7brx 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)	40.06 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.900, 58.600, 67.440, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 18.1

The binding sites of Calcium atom in the Bovine Pancreatic Trypsin with 5-Methoxytryptamine (Room Temperature) (pdb code 7brx). 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 Bovine Pancreatic Trypsin with 5-Methoxytryptamine (Room Temperature), PDB code: 7brx:

Calcium binding site 1 out of 1 in the Bovine Pancreatic Trypsin with 5-Methoxytryptamine (Room Temperature)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bovine Pancreatic Trypsin with 5-Methoxytryptamine (Room Temperature) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:10.5 occ:1.00 OE1 A:GLU75 2.2 11.7 1.0 O A:VAL80 2.3 11.2 1.0 O A:ASN77 2.3 11.6 1.0 OE2 A:GLU85 2.3 12.2 1.0 O A:HOH408 2.4 13.5 1.0 O A:HOH478 2.4 12.4 1.0 CD A:GLU75 3.3 11.1 1.0 CD A:GLU85 3.4 12.1 1.0 C A:VAL80 3.4 13.0 1.0 C A:ASN77 3.5 10.6 1.0 CG A:GLU85 3.7 12.2 1.0 OE2 A:GLU75 3.7 12.4 1.0 CA A:VAL81 4.1 13.6 1.0 N A:GLU82 4.2 12.2 1.0 N A:VAL81 4.2 13.1 1.0 N A:VAL80 4.2 10.2 1.0 OE1 A:GLU82 4.2 14.0 1.0 CA A:ILE78 4.3 8.9 1.0 N A:ILE78 4.3 9.9 1.0 N A:ASN77 4.4 10.6 1.0 CA A:ASN77 4.4 10.6 1.0 CA A:VAL80 4.4 12.1 1.0 OE1 A:GLU85 4.5 12.8 1.0 CG A:GLU82 4.5 14.7 1.0 O A:HOH496 4.5 15.5 1.0 C A:ILE78 4.5 9.5 1.0 N A:ASP76 4.5 9.8 1.0 CG A:GLU75 4.6 9.3 1.0 C A:VAL81 4.6 16.4 1.0 CA A:GLU75 4.7 10.9 1.0 CB A:GLU75 4.8 10.9 1.0 CB A:ASN77 4.8 9.8 1.0 CD A:GLU82 4.8 18.0 1.0 CB A:GLU82 4.8 14.7 1.0 N A:ASN79 4.9 10.7 1.0 O A:ILE78 4.9 10.6 1.0 C A:ASP76 5.0 9.7 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