Calcium in PDB 1sel: Crystal Structure of Selenosubtilisin at 2.0-Angstroms Resolution

The structure of Crystal Structure of Selenosubtilisin at 2.0-Angstroms Resolution, PDB code: 1sel was solved by R.Syed, J.M.Hogle, D.Hilvert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	75.800, 65.400, 53.300, 90.00, 107.30, 90.00
R / Rfree (%)	17.3 / n/a

The binding sites of Calcium atom in the Crystal Structure of Selenosubtilisin at 2.0-Angstroms Resolution (pdb code 1sel). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Selenosubtilisin at 2.0-Angstroms Resolution, PDB code: 1sel:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Selenosubtilisin at 2.0-Angstroms Resolution


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 Selenosubtilisin at 2.0-Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca276 b:5.5 occ:1.00 OD1 A:ASN77 2.2 5.6 1.0 O A:VAL81 2.2 2.8 1.0 O A:LEU75 2.2 7.9 1.0 OE1 A:GLN2 2.3 6.3 1.0 O A:THR79 2.4 10.1 1.0 OD1 A:ASP41 2.4 4.0 1.0 OD2 A:ASP41 2.6 5.4 1.0 CG A:ASP41 2.9 2.5 1.0 CG A:ASN77 3.3 3.8 1.0 C A:LEU75 3.4 5.5 1.0 CD A:GLN2 3.4 4.0 1.0 C A:VAL81 3.4 6.2 1.0 C A:THR79 3.5 9.8 1.0 N A:VAL81 3.8 6.3 1.0 N A:ASN77 3.9 9.7 1.0 ND2 A:ASN77 4.0 2.0 1.0 CG A:GLN2 4.0 4.5 1.0 CA A:VAL81 4.2 4.6 1.0 C A:GLY80 4.3 7.8 1.0 CA A:LEU75 4.3 6.1 1.0 N A:LEU75 4.3 8.1 1.0 N A:ASP76 4.4 5.4 1.0 N A:THR79 4.4 9.1 1.0 CB A:ASP41 4.4 5.4 1.0 N A:GLY80 4.4 10.5 1.0 CA A:THR79 4.4 10.6 1.0 N A:LEU82 4.4 8.3 1.0 CB A:ASN77 4.4 7.0 1.0 NE2 A:GLN2 4.5 3.6 1.0 CB A:GLN2 4.5 7.2 1.0 CA A:ASP76 4.6 5.6 1.0 CB A:LEU75 4.6 4.0 1.0 CA A:ASN77 4.6 8.8 1.0 CA A:GLY80 4.6 5.8 1.0 CB A:THR79 4.6 12.0 1.0 C A:ASP76 4.6 8.2 1.0 CA A:LEU82 4.7 8.7 1.0 C A:ALA74 4.7 3.7 1.0 C A:ASN77 4.7 8.0 1.0 O A:GLY80 4.8 7.7 1.0 O A:ASN77 4.8 13.3 1.0 O A:ALA74 4.9 5.3 1.0 CB A:ALA74 5.0 6.1 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Selenosubtilisin at 2.0-Angstroms Resolution


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 Selenosubtilisin at 2.0-Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca277 b:5.8 occ:1.00 O A:VAL174 2.2 11.8 1.0 O A:HOH325 2.2 9.8 1.0 O A:TYR171 2.3 18.3 1.0 O A:HOH326 2.3 22.8 1.0 O A:ALA169 2.3 15.1 1.0 C A:VAL174 3.4 8.9 1.0 C A:TYR171 3.4 16.6 1.0 C A:ALA169 3.6 14.6 1.0 N A:ALA176 3.9 7.3 1.0 O A:LYS170 4.0 14.1 1.0 C A:LYS170 4.1 13.6 1.0 N A:VAL174 4.1 8.7 1.0 CB A:ALA176 4.1 10.4 1.0 CA A:VAL174 4.1 6.5 1.0 CB A:VAL174 4.2 8.5 1.0 CA A:ASP172 4.2 16.9 1.0 N A:ASP172 4.2 14.8 1.0 N A:TYR171 4.2 14.4 1.0 O A:GLU195 4.3 18.4 1.0 N A:ILE175 4.3 9.0 1.0 NH2 A:ARG247 4.4 7.6 1.0 CA A:TYR171 4.4 13.4 1.0 N A:LYS170 4.5 14.6 1.0 CA A:ILE175 4.5 9.7 1.0 O A:ASP172 4.5 10.3 1.0 C A:ILE175 4.5 9.7 1.0 C A:ASP172 4.5 14.0 1.0 OE1 A:GLU197 4.5 19.4 1.0 CA A:ALA169 4.5 13.2 1.0 CA A:LYS170 4.5 15.7 1.0 CA A:ALA176 4.6 11.0 1.0 CB A:GLU195 4.6 20.4 1.0 CG1 A:VAL174 4.9 8.8 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Selenosubtilisin at 2.0-Angstroms Resolution


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 Selenosubtilisin at 2.0-Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca276 b:26.0 occ:1.00 OE1 B:GLN2 2.2 18.9 1.0 O B:LEU75 2.2 20.5 1.0 O B:VAL81 2.2 17.9 1.0 O B:THR79 2.2 19.2 1.0 OD1 B:ASN77 2.3 24.4 1.0 OD1 B:ASP41 2.5 19.2 1.0 OD2 B:ASP41 2.7 19.6 1.0 CG B:ASP41 3.0 19.0 1.0 CD B:GLN2 3.3 21.6 1.0 CG B:ASN77 3.4 23.0 1.0 C B:VAL81 3.4 15.7 1.0 C B:LEU75 3.4 21.1 1.0 C B:THR79 3.5 19.6 1.0 N B:VAL81 3.8 14.1 1.0 CG B:GLN2 3.9 17.9 1.0 N B:ASN77 3.9 25.0 1.0 ND2 B:ASN77 4.0 23.5 1.0 C B:GLY80 4.2 15.4 1.0 CA B:VAL81 4.3 15.2 1.0 N B:ASP76 4.3 22.0 1.0 CA B:ASP76 4.3 23.7 1.0 N B:GLY80 4.4 19.1 1.0 N B:THR79 4.4 24.6 1.0 NE2 B:GLN2 4.4 20.5 1.0 N B:LEU82 4.4 17.1 1.0 C B:ASP76 4.4 25.4 1.0 CA B:GLY80 4.4 14.8 1.0 CB B:ASN77 4.5 21.1 1.0 CA B:THR79 4.5 23.1 1.0 CA B:LEU75 4.5 19.9 1.0 CB B:GLN2 4.5 20.3 1.0 CB B:ASP41 4.5 19.2 1.0 CA B:ASN77 4.6 21.5 1.0 N B:LEU75 4.6 18.7 1.0 O B:ASN77 4.6 21.9 1.0 C B:ASN77 4.7 21.8 1.0 CA B:LEU82 4.7 14.2 1.0 O B:GLY80 4.8 16.7 1.0 CG2 B:THR79 4.8 25.9 1.0 C B:ALA74 4.9 15.7 1.0 O B:ALA74 4.9 16.2 1.0 CB B:LEU75 5.0 19.3 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Selenosubtilisin at 2.0-Angstroms Resolution


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 Selenosubtilisin at 2.0-Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca277 b:16.1 occ:1.00 O B:HOH286 2.2 18.5 1.0 O B:ALA169 2.2 21.1 1.0 O B:VAL174 2.2 13.6 1.0 O B:TYR171 2.3 17.2 1.0 C B:TYR171 3.4 14.7 1.0 C B:VAL174 3.4 9.3 1.0 C B:ALA169 3.4 19.3 1.0 O B:LYS170 3.6 18.9 1.0 C B:LYS170 3.8 18.0 1.0 CA B:ASP172 4.0 18.3 1.0 N B:TYR171 4.1 18.2 1.0 N B:ASP172 4.1 15.0 1.0 CA B:VAL174 4.1 8.4 1.0 N B:VAL174 4.1 11.1 1.0 CA B:LYS170 4.2 20.1 1.0 O B:GLU195 4.2 8.3 1.0 CB B:VAL174 4.2 5.0 1.0 N B:LYS170 4.3 19.9 1.0 N B:ALA176 4.3 6.3 1.0 CB B:ALA176 4.3 3.7 1.0 CA B:TYR171 4.4 16.8 1.0 N B:ILE175 4.4 11.3 1.0 CA B:ALA169 4.5 17.4 1.0 C B:ASP172 4.5 14.6 1.0 O B:ASP172 4.5 13.8 1.0 NH2 B:ARG247 4.6 20.4 1.0 CB B:GLU195 4.6 14.2 1.0 OE1 B:GLU197 4.6 16.1 1.0 C B:ILE175 4.7 8.5 1.0 CA B:ILE175 4.7 11.4 1.0 CA B:ALA176 4.9 6.3 1.0 O B:PRO168 4.9 15.2 1.0

R.Syed, Z.P.Wu, J.M.Hogle, D.Hilvert. Crystal Structure of Selenosubtilisin at 2.0-A Resolution. Biochemistry V. 32 6157 1993.
ISSN: ISSN 0006-2960
PubMed: 8512925
DOI: 10.1021/BI00075A007