Calcium in PDB 1s2n: Crystal Structure of A Cold Adapted Subtilisin-Like Serine Proteinase

The structure of Crystal Structure of A Cold Adapted Subtilisin-Like Serine Proteinase, PDB code: 1s2n was solved by J.Arnorsdottir, M.M.Kristjansson, R.Ficner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.11 / 2.44
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.425, 36.842, 143.065, 90.00, 93.88, 90.00
R / Rfree (%)	17.7 / 24.7

The binding sites of Calcium atom in the Crystal Structure of A Cold Adapted Subtilisin-Like Serine Proteinase (pdb code 1s2n). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Crystal Structure of A Cold Adapted Subtilisin-Like Serine Proteinase, PDB code: 1s2n:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the Crystal Structure of A Cold Adapted Subtilisin-Like Serine Proteinase


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 A Cold Adapted Subtilisin-Like Serine Proteinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1290 b:28.8 occ:1.00 O A:PRO171 2.3 18.1 1.0 OD2 A:ASP196 2.4 16.8 1.0 O A:HOH1416 2.4 13.2 1.0 O A:GLY173 2.5 17.5 1.0 O A:HOH1369 2.5 9.9 1.0 O A:HOH1412 2.6 25.0 1.0 OD1 A:ASP196 2.6 19.4 1.0 CG A:ASP196 2.9 18.4 1.0 C A:PRO171 3.5 18.3 1.0 C A:GLY173 3.7 18.1 1.0 CA A:PRO171 4.0 18.2 1.0 O A:HOH1338 4.3 28.5 1.0 O A:VAL170 4.3 18.4 1.0 CB A:ASP196 4.4 18.2 1.0 N A:GLY173 4.4 18.1 1.0 O A:CYS194 4.5 17.9 1.0 N A:SER172 4.6 18.4 1.0 C A:SER172 4.6 18.2 1.0 N A:VAL174 4.6 18.2 1.0 CA A:VAL174 4.6 18.2 1.0 CA A:GLY173 4.7 18.1 1.0 N A:THR175 4.7 18.4 1.0 O A:HOH1360 4.8 38.5 1.0 CA A:SER172 4.9 18.3 1.0 OG1 A:THR175 5.0 17.9 1.0

Calcium binding site 2 out of 6 in the Crystal Structure of A Cold Adapted Subtilisin-Like Serine Proteinase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of A Cold Adapted Subtilisin-Like Serine Proteinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1291 b:30.3 occ:1.00 O A:ASP63 2.2 19.2 1.0 OD1 A:ASP56 2.3 16.7 1.0 O A:HOH1449 2.4 23.2 1.0 OD1 A:ASP61 2.5 18.7 1.0 OD2 A:ASP61 2.7 18.9 1.0 O A:HOH1422 2.7 26.3 1.0 CG A:ASP61 3.0 18.9 1.0 CG A:ASP56 3.4 17.6 1.0 C A:ASP63 3.4 18.9 1.0 CB A:ASP56 3.8 17.7 1.0 CB A:ASP63 4.0 18.8 1.0 CA A:ASP63 4.1 18.9 1.0 NH2 A:ARG95 4.3 17.9 1.0 N A:ASP63 4.4 18.9 1.0 OD2 A:ASP56 4.4 16.8 1.0 N A:SER64 4.5 18.9 1.0 CB A:ASP61 4.5 19.1 1.0 OD2 A:ASP59 4.6 20.4 1.0 CG A:ASP63 4.6 18.6 1.0 CB A:ASP59 4.7 19.1 1.0 N A:SER65 4.7 18.6 1.0 CA A:SER64 4.8 18.6 1.0 OD2 A:ASP63 4.8 17.9 1.0

Calcium binding site 3 out of 6 in the Crystal Structure of A Cold Adapted Subtilisin-Like Serine Proteinase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of A Cold Adapted Subtilisin-Like Serine Proteinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1292 b:25.1 occ:1.00 OD2 A:ASP12 2.3 19.5 1.0 O A:ASN21 2.4 18.3 1.0 OD2 A:ASP9 2.4 18.8 1.0 OD2 A:ASP19 2.4 16.7 1.0 OE1 A:GLN13 2.4 17.2 1.0 O A:HOH1437 2.6 15.9 1.0 O A:ASP9 2.6 17.5 1.0 CG A:ASP12 3.2 18.6 1.0 OD1 A:ASP12 3.2 19.5 1.0 CG A:ASP19 3.4 18.0 1.0 CD A:GLN13 3.5 18.0 1.0 C A:ASN21 3.5 18.3 1.0 CG A:ASP9 3.6 18.8 1.0 C A:ASP9 3.6 17.9 1.0 OD1 A:ASP19 3.8 18.8 1.0 CA A:ASP9 3.8 18.0 1.0 CG A:GLN13 4.0 18.2 1.0 N A:ASN21 4.0 18.5 1.0 CA A:ASN21 4.1 18.3 1.0 CB A:ASP9 4.3 18.2 1.0 CB A:ASN21 4.3 18.1 1.0 N A:ASP19 4.5 17.9 1.0 OD1 A:ASP9 4.5 19.4 1.0 N A:TYR22 4.6 18.2 1.0 CB A:GLN13 4.6 18.1 1.0 NE2 A:GLN13 4.6 17.4 1.0 CB A:ASP12 4.6 18.0 1.0 CB A:ASP19 4.6 18.2 1.0 N A:ARG10 4.8 17.8 1.0 CA A:TYR22 4.8 18.2 1.0 CA A:ASP19 4.9 18.2 1.0 N A:ARG20 4.9 18.8 1.0 C A:ASP19 5.0 18.5 1.0

Calcium binding site 4 out of 6 in the Crystal Structure of A Cold Adapted Subtilisin-Like Serine Proteinase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of A Cold Adapted Subtilisin-Like Serine Proteinase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2290 b:22.7 occ:1.00 O B:HOH2445 2.3 29.4 1.0 O B:PRO171 2.3 18.1 1.0 O B:GLY173 2.4 17.4 1.0 O B:HOH2383 2.4 18.7 1.0 OD2 B:ASP196 2.4 16.6 1.0 O B:HOH2389 2.6 15.6 1.0 OD1 B:ASP196 2.6 19.7 1.0 O B:HOH2450 2.6 24.1 1.0 CG B:ASP196 2.9 18.4 1.0 C B:PRO171 3.4 18.2 1.0 C B:GLY173 3.6 18.1 1.0 CA B:PRO171 4.1 18.2 1.0 N B:GLY173 4.3 18.2 1.0 O B:VAL170 4.3 18.5 1.0 CB B:ASP196 4.4 18.1 1.0 C B:SER172 4.4 18.2 1.0 N B:SER172 4.5 18.4 1.0 N B:VAL174 4.5 18.2 1.0 CA B:VAL174 4.5 18.2 1.0 CA B:GLY173 4.5 18.0 1.0 O B:CYS194 4.7 18.2 1.0 O B:HOH2437 4.7 49.6 1.0 N B:THR175 4.7 18.3 1.0 CA B:SER172 4.7 18.3 1.0 O B:SER172 4.9 18.2 1.0

Calcium binding site 5 out of 6 in the Crystal Structure of A Cold Adapted Subtilisin-Like Serine Proteinase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of A Cold Adapted Subtilisin-Like Serine Proteinase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2291 b:27.8 occ:1.00 O B:HOH2390 2.3 25.1 1.0 OD1 B:ASP56 2.3 16.7 1.0 O B:ASP63 2.3 19.2 1.0 O B:HOH2423 2.4 26.6 1.0 OD1 B:ASP61 2.5 18.7 1.0 OD2 B:ASP61 2.7 19.0 1.0 CG B:ASP61 3.0 18.9 1.0 CG B:ASP56 3.4 17.6 1.0 C B:ASP63 3.5 19.0 1.0 CB B:ASP56 3.9 17.7 1.0 CB B:ASP63 4.0 18.8 1.0 CA B:ASP63 4.2 18.9 1.0 NH2 B:ARG95 4.3 17.9 1.0 O B:HOH2456 4.4 36.4 1.0 OD2 B:ASP59 4.5 20.3 1.0 N B:ASP63 4.5 18.9 1.0 OD2 B:ASP56 4.5 16.6 1.0 CB B:ASP61 4.5 19.1 1.0 N B:SER64 4.6 19.0 1.0 CB B:ASP59 4.6 19.1 1.0 CG B:ASP63 4.6 18.6 1.0 N B:SER65 4.8 18.6 1.0 O B:HOH2435 4.8 38.5 1.0 CA B:SER64 4.9 18.6 1.0 OD2 B:ASP63 4.9 17.7 1.0

Calcium binding site 6 out of 6 in the Crystal Structure of A Cold Adapted Subtilisin-Like Serine Proteinase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of A Cold Adapted Subtilisin-Like Serine Proteinase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2292 b:29.1 occ:1.00 OE1 B:GLN13 2.2 17.2 1.0 OD2 B:ASP9 2.3 18.7 1.0 OD2 B:ASP12 2.3 19.3 1.0 O B:ASP9 2.4 17.5 1.0 OD2 B:ASP19 2.4 16.9 1.0 O B:ASN21 2.5 18.2 1.0 O B:HOH2329 2.6 25.2 1.0 CG B:ASP12 3.2 18.5 1.0 CD B:GLN13 3.3 18.1 1.0 OD1 B:ASP12 3.3 19.4 1.0 C B:ASP9 3.4 17.8 1.0 CG B:ASP9 3.5 18.7 1.0 CG B:ASP19 3.5 18.2 1.0 C B:ASN21 3.7 18.3 1.0 CA B:ASP9 3.7 18.0 1.0 CG B:GLN13 3.8 18.2 1.0 OD1 B:ASP19 3.9 18.6 1.0 N B:ASN21 4.1 18.5 1.0 CB B:ASP9 4.2 18.2 1.0 CA B:ASN21 4.3 18.2 1.0 N B:ASP19 4.4 17.9 1.0 OD1 B:ASP9 4.4 19.5 1.0 NE2 B:GLN13 4.4 17.5 1.0 CB B:GLN13 4.5 18.0 1.0 CB B:ASN21 4.5 18.2 1.0 N B:ARG10 4.6 17.9 1.0 CB B:ASP12 4.7 18.2 1.0 CB B:ASP19 4.7 18.2 1.0 N B:TYR22 4.8 18.2 1.0 CA B:ASP19 4.9 18.2 1.0 N B:ARG20 4.9 18.7 1.0 C B:ASP12 5.0 17.8 1.0 N B:GLN13 5.0 17.9 1.0

J.Arnorsdottir, M.M.Kristjansson, R.Ficner. Crystal Structure of A Subtilisin-Like Serine Proteinase From A Psychrotrophic Vibrio Species Reveals Structural Aspects of Cold Adaptation. Febs J. V. 272 832 2005.
ISSN: ISSN 1742-464X
PubMed: 15670163
DOI: 10.1111/J.1742-4658.2005.04523.X