Calcium in PDB 1bfk: Crystal Structure of Subtilisin Carlsberg in 40% Acetonitrile

All present enzymatic activity of Crystal Structure of Subtilisin Carlsberg in 40% Acetonitrile:
3.4.21.62;

The structure of Crystal Structure of Subtilisin Carlsberg in 40% Acetonitrile, PDB code: 1bfk was solved by J.L.Schmitke, L.J.Stern, A.M.Klibanov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	79.038, 54.805, 53.928, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 24.7

The binding sites of Calcium atom in the Crystal Structure of Subtilisin Carlsberg in 40% Acetonitrile (pdb code 1bfk). 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 Subtilisin Carlsberg in 40% Acetonitrile, PDB code: 1bfk:

Calcium binding site 1 out of 1 in the Crystal Structure of Subtilisin Carlsberg in 40% Acetonitrile


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 Subtilisin Carlsberg in 40% Acetonitrile within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca276 b:28.7 occ:1.00 O A:LEU75 2.3 19.9 1.0 O A:THR79 2.3 26.3 1.0 OD1 A:ASN77 2.4 25.3 1.0 OD1 A:ASP41 2.4 29.0 1.0 OE1 A:GLN2 2.4 22.4 1.0 O A:VAL81 2.6 16.0 1.0 OD2 A:ASP41 2.7 27.2 1.0 CG A:ASP41 2.9 28.2 1.0 CG A:ASN77 3.3 23.4 1.0 C A:LEU75 3.5 21.2 1.0 CD A:GLN2 3.5 21.1 1.0 C A:THR79 3.5 24.8 1.0 C A:VAL81 3.7 19.1 1.0 ND2 A:ASN77 3.8 24.7 1.0 N A:ASN77 3.8 25.5 1.0 N A:VAL81 3.8 21.5 1.0 CG A:GLN2 4.0 21.2 1.0 C A:GLY80 4.2 23.7 1.0 CA A:GLY80 4.3 22.9 1.0 CA A:LEU75 4.3 20.9 1.0 N A:THR79 4.3 25.7 1.0 N A:GLY80 4.4 24.1 1.0 CA A:VAL81 4.4 20.0 1.0 N A:LEU75 4.4 18.8 1.0 CB A:ASP41 4.4 25.6 1.0 N A:ASP76 4.4 22.1 1.0 CA A:ASP76 4.5 22.2 1.0 CB A:ASN77 4.5 24.5 1.0 CA A:THR79 4.5 25.6 1.0 CG2 A:THR79 4.5 22.9 1.0 CA A:ASN77 4.6 25.1 1.0 NE2 A:GLN2 4.6 21.0 1.0 CB A:LEU75 4.6 20.2 1.0 C A:ASP76 4.6 23.9 1.0 C A:ASN77 4.7 25.5 1.0 CB A:GLN2 4.7 24.5 1.0 O A:ASN77 4.8 26.2 1.0 C A:ALA74 4.8 19.7 1.0 N A:LEU82 4.8 21.2 1.0 O A:GLY80 4.9 25.0 1.0 O A:ALA74 5.0 18.5 1.0 CA A:LEU82 5.0 21.0 1.0

J.L.Schmitke, L.J.Stern, A.M.Klibanov. Organic Solvent Binding to Crystalline SUBTILISIN1 in Mostly Aqueous Media and in the Neat Solvents. Biochem.Biophys.Res.Commun. V. 248 273 1998.
ISSN: ISSN 0006-291X
PubMed: 9675126
DOI: 10.1006/BBRC.1998.8937