Calcium in PDB 1scd: X-Ray Crystal Structure of Cross-Linked Subtilism Carlsberg in Water Vs. Acetonitrile

All present enzymatic activity of X-Ray Crystal Structure of Cross-Linked Subtilism Carlsberg in Water Vs. Acetonitrile:
3.4.21.62;

The structure of X-Ray Crystal Structure of Cross-Linked Subtilism Carlsberg in Water Vs. Acetonitrile, PDB code: 1scd was solved by P.A.Fitzpatrick, D.Ringe, A.M.Klibanov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.200, 55.800, 53.700, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Calcium atom in the X-Ray Crystal Structure of Cross-Linked Subtilism Carlsberg in Water Vs. Acetonitrile (pdb code 1scd). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the X-Ray Crystal Structure of Cross-Linked Subtilism Carlsberg in Water Vs. Acetonitrile, PDB code: 1scd:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the X-Ray Crystal Structure of Cross-Linked Subtilism Carlsberg in Water Vs. Acetonitrile


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Crystal Structure of Cross-Linked Subtilism Carlsberg in Water Vs. Acetonitrile within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:11.3 occ:1.00 O A:VAL81 2.4 11.1 1.0 OD1 A:ASN77 2.4 11.1 1.0 O A:LEU75 2.4 9.1 1.0 OD1 A:ASP41 2.4 10.3 1.0 NE2 A:GLN2 2.5 14.2 1.0 O A:THR79 2.5 12.3 1.0 OD2 A:ASP41 2.9 9.5 1.0 CG A:ASP41 3.0 10.1 1.0 CG A:ASN77 3.3 10.7 1.0 C A:LEU75 3.6 8.3 1.0 C A:VAL81 3.6 10.2 1.0 C A:THR79 3.6 11.3 1.0 CD A:GLN2 3.7 14.1 1.0 ND2 A:ASN77 3.7 10.8 1.0 N A:VAL81 4.0 9.7 1.0 N A:ASN77 4.0 10.0 1.0 CG A:GLN2 4.2 13.8 1.0 CA A:LEU75 4.3 7.2 1.0 C A:GLY80 4.4 10.3 1.0 N A:LEU75 4.4 6.7 1.0 N A:THR79 4.4 11.7 1.0 CA A:VAL81 4.4 10.0 1.0 N A:GLY80 4.4 10.8 1.0 CB A:ASN77 4.5 10.6 1.0 N A:ASP76 4.5 9.2 1.0 N A:LEU82 4.5 10.4 1.0 CA A:GLY80 4.5 10.9 1.0 CB A:ASP41 4.5 8.9 1.0 CA A:THR79 4.6 11.7 1.0 CG2 A:THR79 4.6 11.8 1.0 CA A:ASN77 4.6 10.4 1.0 CB A:LEU75 4.6 7.5 1.0 C A:ASN77 4.6 11.1 1.0 OE1 A:GLN2 4.7 14.5 1.0 CA A:ASP76 4.7 10.3 1.0 CA A:LEU82 4.7 9.6 1.0 C A:ALA74 4.7 6.0 1.0 C A:ASP76 4.7 10.4 1.0 O A:ASN77 4.8 11.8 1.0 CB A:GLN2 4.9 14.1 1.0 N A:THR78 5.0 11.1 1.0

Calcium binding site 2 out of 2 in the X-Ray Crystal Structure of Cross-Linked Subtilism Carlsberg in Water Vs. Acetonitrile


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Crystal Structure of Cross-Linked Subtilism Carlsberg in Water Vs. Acetonitrile within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:32.8 occ:1.00 O A:VAL174 2.4 10.4 1.0 O A:ALA169 2.5 13.7 1.0 O A:TYR171 2.6 16.8 1.0 C A:TYR171 3.5 16.6 1.0 C A:VAL174 3.6 11.0 1.0 C A:ALA169 3.8 14.0 1.0 CA A:ASP172 3.9 16.8 1.0 C A:LYS170 4.0 16.1 1.0 O A:LYS170 4.0 15.8 1.0 N A:ASP172 4.2 16.6 1.0 O A:GLU195 4.2 13.1 1.0 N A:ALA176 4.2 10.4 1.0 N A:TYR171 4.3 15.9 1.0 CB A:ALA176 4.3 9.6 1.0 N A:VAL174 4.3 13.3 1.0 NH2 A:ARG247 4.4 8.8 1.0 CA A:LYS170 4.4 16.3 1.0 CA A:VAL174 4.4 11.8 1.0 N A:LYS170 4.5 15.0 1.0 OE1 A:GLU197 4.5 8.5 1.0 C A:ASP172 4.5 16.2 1.0 CB A:GLU195 4.5 15.0 1.0 CA A:TYR171 4.6 16.3 1.0 N A:ILE175 4.6 9.9 1.0 CB A:VAL174 4.6 10.8 1.0 CA A:ILE175 4.7 9.7 1.0 CB A:ASP172 4.8 18.3 1.0 C A:ILE175 4.8 10.2 1.0 O A:ASP172 4.8 16.1 1.0 CA A:ALA176 4.9 9.7 1.0 CA A:ALA169 4.9 13.6 1.0

P.A.Fitzpatrick, D.Ringe, A.M.Klibanov. X-Ray Crystal Structure of Cross-Linked Subtilisin Carlsberg in Water Vs. Acetonitrile. Biochem.Biophys.Res.Commun. V. 198 675 1994.
ISSN: ISSN 0006-291X
PubMed: 8297378
DOI: 10.1006/BBRC.1994.1098