Calcium in PDB 1f5r: Rat Trypsinogen Mutant Complexed with Bovine Pancreatic Trypsin Inhibitor

All present enzymatic activity of Rat Trypsinogen Mutant Complexed with Bovine Pancreatic Trypsin Inhibitor:
3.4.21.4;

The structure of Rat Trypsinogen Mutant Complexed with Bovine Pancreatic Trypsin Inhibitor, PDB code: 1f5r was solved by A.Pasternak, A.White, M.Cahoon, D.Ringe, L.Hedstrom, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.69 / 1.65
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.568, 92.568, 62.126, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 22

The binding sites of Calcium atom in the Rat Trypsinogen Mutant Complexed with Bovine Pancreatic Trypsin Inhibitor (pdb code 1f5r). 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 Rat Trypsinogen Mutant Complexed with Bovine Pancreatic Trypsin Inhibitor, PDB code: 1f5r:

Calcium binding site 1 out of 1 in the Rat Trypsinogen Mutant Complexed with Bovine Pancreatic Trypsin Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Rat Trypsinogen Mutant Complexed with Bovine Pancreatic Trypsin Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca800 b:21.7 occ:1.00 OE1 A:GLU70 2.3 14.6 1.0 O A:VAL75 2.3 16.4 1.0 OE2 A:GLU80 2.4 17.1 1.0 O A:ASN72 2.5 15.3 1.0 OE1 A:GLU77 2.5 20.5 1.0 O A:HOH535 2.9 23.9 1.0 CD A:GLU77 3.2 21.2 1.0 CD A:GLU70 3.4 15.2 1.0 CD A:GLU80 3.5 17.7 1.0 C A:ASN72 3.5 15.5 1.0 CG A:GLU77 3.5 20.9 1.0 C A:VAL75 3.5 16.7 1.0 CG A:GLU80 3.8 17.6 1.0 OE2 A:GLU70 3.9 15.0 1.0 N A:GLU77 4.0 19.1 1.0 CA A:ILE73 4.2 15.7 1.0 CB A:GLU77 4.2 20.4 1.0 OE2 A:GLU77 4.2 21.8 1.0 N A:ASN72 4.2 15.7 1.0 N A:ILE73 4.3 15.4 1.0 N A:VAL75 4.3 16.1 1.0 O A:HOH563 4.4 27.5 1.0 CA A:VAL75 4.5 16.5 1.0 N A:LEU76 4.5 16.6 1.0 CA A:ASN72 4.5 15.5 1.0 CA A:LEU76 4.5 17.5 1.0 N A:HIS71 4.5 15.9 1.0 C A:ILE73 4.5 15.8 1.0 OE1 A:GLU80 4.6 17.3 1.0 CG A:GLU70 4.6 14.6 1.0 CA A:GLU70 4.7 14.9 1.0 C A:LEU76 4.7 18.4 1.0 CA A:GLU77 4.8 20.3 1.0 CB A:GLU70 4.8 14.8 1.0 CB A:ASN72 4.8 16.5 1.0 O A:ILE73 4.8 15.7 1.0 N A:ASN74 4.9 15.9 1.0 CB A:VAL75 5.0 16.9 1.0

A.Pasternak, A.White, C.J.Jeffery, N.Medina, M.Cahoon, D.Ringe, L.Hedstrom. The Energetic Cost of Induced Fit Catalysis: Crystal Structures of Trypsinogen Mutants with Enhanced Activity and Inhibitor Affinity. Protein Sci. V. 10 1331 2001.
ISSN: ISSN 0961-8368
PubMed: 11420435
DOI: 10.1110/PS.44101