Calcium in PDB 1sh7: 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: 1sh7 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)	30.00 / 1.84
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.212, 36.881, 140.488, 90.00, 97.80, 90.00
R / Rfree (%)	14.1 / 19.7

The binding sites of Calcium atom in the Crystal Structure of A Cold Adapted Subtilisin-Like Serine Proteinase (pdb code 1sh7). 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: 1sh7:
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:10.6 occ:1.00 O A:HOH1383 2.3 18.2 1.0 OD2 A:ASP196 2.4 9.6 1.0 O A:HOH1298 2.4 11.8 1.0 O A:GLY173 2.4 13.1 1.0 OD1 A:ASP196 2.5 13.7 1.0 O A:HOH1322 2.5 10.7 1.0 O A:PRO171 2.5 14.5 1.0 O A:HOH1307 2.5 13.4 1.0 CG A:ASP196 2.8 11.5 1.0 C A:GLY173 3.6 12.5 1.0 C A:PRO171 3.6 13.0 1.0 N A:GLY173 4.3 12.5 1.0 O A:VAL170 4.3 11.4 1.0 O A:HOH1358 4.3 17.8 1.0 CA A:PRO171 4.3 13.5 1.0 CB A:ASP196 4.3 11.2 1.0 O A:HOH1312 4.5 10.8 1.0 CA A:VAL174 4.5 10.8 1.0 N A:VAL174 4.5 12.0 1.0 CA A:GLY173 4.6 12.4 1.0 O A:CYS194 4.6 11.5 1.0 N A:SER172 4.6 13.1 1.0 C A:SER172 4.6 12.6 1.0 OG1 A:THR175 4.6 10.2 1.0 N A:THR175 4.6 10.4 1.0 O A:HOH1404 4.6 15.4 1.0 CA A:SER172 4.8 13.1 1.0 O A:HOH1381 4.9 27.6 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:13.5 occ:1.00 OD1 A:ASP56 2.2 12.7 1.0 O A:ASP63 2.3 11.3 1.0 O A:HOH1321 2.4 11.5 1.0 O A:HOH1299 2.4 12.4 1.0 O A:HOH1301 2.4 17.1 1.0 OD1 A:ASP61 2.6 12.8 1.0 OD2 A:ASP61 2.7 14.4 1.0 CG A:ASP61 3.0 16.2 1.0 CG A:ASP56 3.3 12.8 1.0 C A:ASP63 3.5 13.3 1.0 CB A:ASP56 3.8 12.6 1.0 CB A:ASP63 4.2 14.7 1.0 CA A:ASP63 4.2 13.7 1.0 NH2 A:ARG95 4.2 15.2 1.0 OD2 A:ASP56 4.4 14.7 1.0 O A:HOH1357 4.4 21.4 1.0 N A:ASP63 4.4 14.6 1.0 CB A:ASP61 4.5 15.4 1.0 N A:SER64 4.6 13.3 1.0 OD2 A:ASP59 4.6 16.3 1.0 CB A:ASP59 4.6 15.7 1.0 CG A:ASP63 4.7 16.6 1.0 O A:HOH1471 4.8 30.7 1.0 CA A:SER64 4.8 12.3 1.0 O A:HOH1429 4.8 23.9 1.0 CD A:ARG95 4.9 14.9 1.0 N A:SER65 4.9 12.1 1.0 OD2 A:ASP63 4.9 15.6 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:11.5 occ:1.00 OE1 A:GLN13 2.3 11.5 1.0 O A:HOH1325 2.3 12.6 1.0 OD2 A:ASP12 2.3 11.8 1.0 O A:ASN21 2.4 12.3 1.0 OD2 A:ASP9 2.4 8.9 1.0 OD2 A:ASP19 2.5 10.8 1.0 O A:ASP9 2.5 11.2 1.0 CG A:ASP12 3.3 12.5 1.0 CD A:GLN13 3.3 12.3 1.0 OD1 A:ASP12 3.4 13.9 1.0 CG A:ASP19 3.4 15.0 1.0 C A:ASP9 3.4 10.5 1.0 C A:ASN21 3.6 12.5 1.0 CG A:ASP9 3.6 12.7 1.0 CA A:ASP9 3.7 10.3 1.0 OD1 A:ASP19 3.7 17.6 1.0 CG A:GLN13 3.8 11.1 1.0 N A:ASN21 4.1 13.8 1.0 CB A:ASP9 4.3 9.9 1.0 CA A:ASN21 4.3 14.2 1.0 N A:ASP19 4.4 12.2 1.0 CB A:GLN13 4.4 10.3 1.0 NE2 A:GLN13 4.5 12.2 1.0 CB A:ASN21 4.5 14.7 1.0 N A:TYR22 4.6 11.8 1.0 OD1 A:ASP9 4.6 11.2 1.0 CB A:ASP19 4.6 13.8 1.0 N A:ARG10 4.6 9.3 1.0 CB A:ASP12 4.7 12.1 1.0 CA A:TYR22 4.8 11.9 1.0 CA A:ASP19 4.9 13.1 1.0 C A:ASP12 4.9 11.3 1.0 N A:ARG20 4.9 13.4 1.0 O A:LEU8 5.0 9.5 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:12.2 occ:1.00 O B:HOH2422 2.3 24.9 1.0 OD2 B:ASP196 2.3 12.3 1.0 O B:HOH2380 2.4 20.4 1.0 O B:PRO171 2.4 12.1 1.0 O B:HOH2411 2.4 23.1 1.0 O B:GLY173 2.5 13.9 1.0 O B:HOH2383 2.5 15.9 1.0 OD1 B:ASP196 2.7 15.8 1.0 CG B:ASP196 2.9 14.9 1.0 C B:PRO171 3.5 11.7 1.0 C B:GLY173 3.6 12.4 1.0 CA B:PRO171 4.1 11.4 1.0 O B:HOH2405 4.2 26.4 1.0 O B:VAL170 4.2 11.1 1.0 N B:GLY173 4.3 12.2 1.0 CB B:ASP196 4.3 13.4 1.0 N B:VAL174 4.5 11.8 1.0 CA B:VAL174 4.5 11.2 1.0 N B:SER172 4.5 12.5 1.0 CA B:GLY173 4.5 12.5 1.0 O B:HOH2332 4.5 17.9 1.0 N B:THR175 4.6 10.7 1.0 C B:SER172 4.6 12.8 1.0 O B:HOH2431 4.6 26.6 1.0 O B:CYS194 4.7 13.2 1.0 OG1 B:THR175 4.7 13.6 1.0 O B:HOH2367 4.7 18.6 1.0 CA B:SER172 4.8 12.9 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:13.5 occ:1.00 O B:ASP63 2.4 12.4 1.0 OD1 B:ASP56 2.4 12.5 1.0 O B:HOH2326 2.4 15.2 1.0 O B:HOH2303 2.4 13.6 1.0 OD1 B:ASP61 2.4 11.1 1.0 OD2 B:ASP61 2.5 15.9 1.0 O B:HOH2404 2.6 16.2 1.0 CG B:ASP61 2.9 14.8 1.0 CG B:ASP56 3.4 13.3 1.0 C B:ASP63 3.6 12.6 1.0 CB B:ASP56 3.8 11.8 1.0 CB B:ASP63 4.1 12.9 1.0 CA B:ASP63 4.3 12.8 1.0 NH2 B:ARG95 4.3 11.7 1.0 CB B:ASP61 4.4 14.4 1.0 N B:ASP63 4.4 13.3 1.0 O B:HOH2337 4.5 20.2 1.0 OD2 B:ASP56 4.5 11.4 1.0 O B:HOH2342 4.6 21.0 1.0 N B:SER64 4.6 11.7 1.0 OD2 B:ASP59 4.6 15.2 1.0 CG B:ASP63 4.7 14.9 1.0 CB B:ASP59 4.7 13.9 1.0 CA B:SER64 4.8 11.6 1.0 CD B:ARG95 4.9 11.5 1.0 OD2 B:ASP63 4.9 14.3 1.0 N B:SER65 5.0 11.9 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:10.4 occ:1.00 OD2 B:ASP9 2.3 11.3 1.0 OE1 B:GLN13 2.3 13.1 1.0 O B:HOH2344 2.3 14.6 1.0 OD2 B:ASP12 2.4 13.2 1.0 O B:ASP9 2.4 9.3 1.0 O B:ASN21 2.4 13.6 1.0 OD2 B:ASP19 2.5 12.2 1.0 CG B:ASP12 3.2 12.9 1.0 C B:ASP9 3.3 10.5 1.0 OD1 B:ASP12 3.3 15.1 1.0 CD B:GLN13 3.4 12.6 1.0 CG B:ASP9 3.4 12.5 1.0 CG B:ASP19 3.5 16.5 1.0 C B:ASN21 3.6 15.4 1.0 CA B:ASP9 3.6 11.1 1.0 OD1 B:ASP19 3.9 16.1 1.0 CG B:GLN13 4.0 12.4 1.0 CB B:ASP9 4.1 10.2 1.0 N B:ASN21 4.1 15.8 1.0 CA B:ASN21 4.3 15.7 1.0 N B:ASP19 4.4 15.8 1.0 CB B:GLN13 4.4 11.6 1.0 OD1 B:ASP9 4.5 12.5 1.0 N B:ARG10 4.5 10.6 1.0 NE2 B:GLN13 4.6 10.3 1.0 CB B:ASN21 4.6 16.8 1.0 N B:TYR22 4.6 14.3 1.0 CB B:ASP19 4.7 15.5 1.0 CB B:ASP12 4.7 11.9 1.0 CA B:TYR22 4.8 13.4 1.0 N B:ARG20 4.9 16.2 1.0 CA B:ASP19 4.9 15.7 1.0 O B:LEU8 4.9 10.0 1.0 C B:ASP12 4.9 11.7 1.0 N B:ASP9 4.9 10.4 1.0 C B:ASP19 5.0 16.6 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