Calcium in PDB 1bfu: Subtilisin Carlsberg in 20% Dioxane

All present enzymatic activity of Subtilisin Carlsberg in 20% Dioxane:
3.4.21.62;

The structure of Subtilisin Carlsberg in 20% Dioxane, PDB code: 1bfu 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 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.555, 55.173, 53.862, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 24.5

The binding sites of Calcium atom in the Subtilisin Carlsberg in 20% Dioxane (pdb code 1bfu). 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 Subtilisin Carlsberg in 20% Dioxane, PDB code: 1bfu:

Calcium binding site 1 out of 1 in the Subtilisin Carlsberg in 20% Dioxane


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Subtilisin Carlsberg in 20% Dioxane within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca276 b:18.7 occ:1.00 O A:VAL81 2.3 18.2 1.0 O A:THR79 2.4 22.7 1.0 O A:LEU75 2.5 21.2 1.0 ND2 A:ASN77 2.5 16.0 1.0 OD1 A:ASP41 2.6 15.8 1.0 OE1 A:GLN2 2.6 20.6 1.0 OD2 A:ASP41 2.8 16.1 1.0 CG A:ASP41 3.0 18.7 1.0 CD A:GLN2 3.5 21.2 1.0 C A:VAL81 3.5 18.3 1.0 C A:LEU75 3.6 19.3 1.0 CG A:ASN77 3.6 20.8 1.0 C A:THR79 3.7 20.3 1.0 N A:VAL81 3.8 18.5 1.0 N A:ASN77 3.8 23.0 1.0 CG A:GLN2 4.1 17.8 1.0 C A:GLY80 4.1 19.5 1.0 OD1 A:ASN77 4.2 24.3 1.0 CA A:VAL81 4.2 17.4 1.0 CA A:GLY80 4.4 19.2 1.0 N A:THR79 4.4 22.2 1.0 CA A:LEU75 4.4 18.4 1.0 N A:ASP76 4.5 20.9 1.0 NE2 A:GLN2 4.5 21.9 1.0 N A:LEU75 4.5 18.2 1.0 N A:GLY80 4.5 19.8 1.0 CB A:ASP41 4.5 16.4 1.0 CA A:ASP76 4.5 21.4 1.0 N A:LEU82 4.5 16.9 1.0 CA A:ASN77 4.6 22.4 1.0 CA A:THR79 4.6 20.9 1.0 C A:ASN77 4.6 23.2 1.0 O A:ASN77 4.7 22.4 1.0 C A:ASP76 4.7 22.2 1.0 C A:ALA74 4.7 18.2 1.0 CB A:ASN77 4.7 22.6 1.0 CA A:LEU82 4.7 16.7 1.0 CB A:LEU75 4.7 17.0 1.0 CB A:GLN2 4.7 19.1 1.0 CG2 A:THR79 4.8 19.6 1.0 O A:GLY80 4.8 20.2 1.0 O A:ALA74 4.8 18.3 1.0 CB A:ALA74 4.9 17.1 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