Calcium in PDB 1sud: Calcium-Independent Subtilisin By Design

All present enzymatic activity of Calcium-Independent Subtilisin By Design:
3.4.21.62;

The structure of Calcium-Independent Subtilisin By Design, PDB code: 1sud was solved by T.Gallagher, P.Bryan, G.L.Gilliland, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.680, 79.350, 37.070, 90.00, 114.62, 90.00
R / Rfree (%)	n/a / n/a

The structure of Calcium-Independent Subtilisin By Design also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Calcium atom in the Calcium-Independent Subtilisin By Design (pdb code 1sud). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Calcium-Independent Subtilisin By Design, PDB code: 1sud:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Calcium-Independent Subtilisin By Design


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Calcium-Independent Subtilisin By Design within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca295 b:8.2 occ:1.00 O A:LEU75 2.2 8.4 1.0 OD1 A:ASP41 2.2 8.1 1.0 O A:ILE79 2.2 8.6 1.0 O A:VAL81 2.4 9.3 1.0 OD1 A:ASN77 2.4 15.2 1.0 OE1 A:GLN2 2.4 12.0 1.0 OD2 A:ASP41 2.6 8.5 1.0 CG A:ASP41 2.7 8.2 1.0 CG A:ASN77 3.4 14.8 1.0 C A:LEU75 3.4 9.4 1.0 C A:ILE79 3.5 9.2 1.0 CD A:GLN2 3.5 12.1 1.0 C A:VAL81 3.6 9.9 1.0 N A:VAL81 3.8 8.8 1.0 CG A:GLN2 3.9 13.1 1.0 ND2 A:ASN77 3.9 14.7 1.0 N A:ASN77 4.1 14.0 1.0 C A:GLY80 4.2 8.8 1.0 CB A:ASP41 4.3 8.6 1.0 N A:GLY80 4.3 8.3 1.0 CA A:LEU75 4.3 8.8 1.0 CA A:VAL81 4.3 9.7 1.0 N A:LEU75 4.3 7.8 1.0 CA A:GLY80 4.4 8.8 1.0 N A:ASN76 4.4 11.6 1.0 CA A:ILE79 4.5 9.9 1.0 N A:ILE79 4.5 11.9 1.0 CB A:ASN77 4.5 14.8 1.0 N A:LEU82 4.6 10.2 1.0 CA A:ASN76 4.6 13.3 1.0 NE2 A:GLN2 4.6 11.6 1.0 CA A:ASN77 4.7 14.5 1.0 CG1 A:ILE79 4.7 9.7 1.0 O A:ASN77 4.7 13.7 1.0 C A:ALA74 4.7 7.2 1.0 CB A:GLN2 4.7 14.7 1.0 C A:ASN77 4.8 14.1 1.0 C A:ASN76 4.8 14.2 1.0 CB A:LEU75 4.8 9.1 1.0 O A:GLY80 4.9 7.4 1.0 CA A:LEU82 4.9 9.7 1.0

Calcium binding site 2 out of 2 in the Calcium-Independent Subtilisin By Design


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Calcium-Independent Subtilisin By Design within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca296 b:22.8 occ:0.49 K A:K297 2.2 14.3 0.5 O A:GLU195 2.5 10.8 1.0 OD2 A:ASP197 2.5 10.0 1.0 O A:HOH368 2.7 13.1 0.7 OD1 A:ASP197 2.8 11.1 1.0 CG A:ASP197 3.0 10.1 1.0 O A:HOH375 3.2 10.9 0.6 C A:GLU195 3.5 9.7 1.0 O A:VAL174 3.8 8.7 1.0 CA A:GLU195 3.8 9.8 1.0 NH2 A:ARG247 3.8 12.2 1.0 CB A:GLU195 4.0 10.3 1.0 O A:TYR171 4.3 10.6 1.0 O A:GLY169 4.3 7.2 1.0 CB A:ASP197 4.4 9.5 1.0 O A:PRO172 4.5 10.9 1.0 CB A:ALA176 4.5 6.1 1.0 N A:LEU196 4.6 9.2 1.0 N A:ALA176 4.7 6.3 1.0 CA A:PRO172 4.7 10.6 1.0 N A:ASP197 4.8 7.7 1.0 C A:LEU196 4.9 8.3 1.0 O A:HOH425 4.9 20.8 0.7 C A:VAL174 5.0 7.1 1.0 O A:LYS170 5.0 11.2 1.0

T.Gallagher, P.Bryan, G.L.Gilliland. Calcium-Independent Subtilisin By Design. Proteins V. 16 205 1993.
ISSN: ISSN 0887-3585
PubMed: 8332608
DOI: 10.1002/PROT.340160207