Calcium in PDB 1af4: Crystal Structure of Subtilisin Carlsberg in Anhydrous Dioxane

All present enzymatic activity of Crystal Structure of Subtilisin Carlsberg in Anhydrous Dioxane:
3.4.21.62;

The structure of Crystal Structure of Subtilisin Carlsberg in Anhydrous Dioxane, PDB code: 1af4 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)	6.00 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.000, 55.200, 53.850, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 24.8

The binding sites of Calcium atom in the Crystal Structure of Subtilisin Carlsberg in Anhydrous Dioxane (pdb code 1af4). 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 Anhydrous Dioxane, PDB code: 1af4:

Calcium binding site 1 out of 1 in the Crystal Structure of Subtilisin Carlsberg in Anhydrous Dioxane


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 Anhydrous Dioxane within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca276 b:2.0 occ:1.00 O A:LEU75 2.3 9.1 1.0 O A:VAL81 2.4 12.6 1.0 OE1 A:GLN2 2.4 12.9 1.0 O A:THR79 2.5 17.0 1.0 ND2 A:ASN77 2.6 14.2 1.0 OD1 A:ASP41 2.6 9.1 1.0 OD2 A:ASP41 3.1 10.5 1.0 CG A:ASP41 3.2 9.6 1.0 CD A:GLN2 3.3 10.6 1.0 C A:LEU75 3.5 8.1 1.0 C A:VAL81 3.5 9.7 1.0 CG A:ASN77 3.6 10.6 1.0 C A:THR79 3.7 12.4 1.0 CG A:GLN2 3.8 10.1 1.0 N A:ASN77 3.8 8.9 1.0 N A:VAL81 3.9 5.8 1.0 OD1 A:ASN77 4.1 10.7 1.0 C A:GLY80 4.2 7.3 1.0 CA A:VAL81 4.3 7.1 1.0 CA A:LEU75 4.4 9.0 1.0 N A:ASP76 4.4 7.5 1.0 NE2 A:GLN2 4.4 12.8 1.0 N A:LEU75 4.4 10.6 1.0 CA A:ASP76 4.4 8.3 1.0 N A:THR79 4.5 12.2 1.0 N A:LEU82 4.5 9.4 1.0 CA A:GLY80 4.5 9.4 1.0 N A:GLY80 4.5 12.4 1.0 C A:ASP76 4.6 9.2 1.0 CB A:GLN2 4.6 11.4 1.0 CA A:ASN77 4.6 8.5 1.0 O A:ASN77 4.6 9.2 1.0 C A:ALA74 4.6 11.1 1.0 CA A:LEU82 4.6 9.6 1.0 CA A:THR79 4.7 11.5 1.0 CB A:ASN77 4.7 8.9 1.0 CB A:LEU75 4.7 5.9 1.0 C A:ASN77 4.7 9.4 1.0 CB A:ASP41 4.8 6.6 1.0 O A:ALA74 4.8 12.4 1.0 O A:GLY80 4.9 6.9 1.0 CB A:ALA74 5.0 7.7 1.0

J.L.Schmitke, L.J.Stern, A.M.Klibanov. The Crystal Structure of Subtilisin Carlsberg in Anhydrous Dioxane and Its Comparison with Those in Water and Acetonitrile. Proc.Natl.Acad.Sci.Usa V. 94 4250 1997.
ISSN: ISSN 0027-8424
PubMed: 9113975
DOI: 10.1073/PNAS.94.9.4250