Calcium in PDB 1scj: Crystal Structure of Subtilisin-Propeptide Complex

All present enzymatic activity of Crystal Structure of Subtilisin-Propeptide Complex:
3.4.21.62;

The structure of Crystal Structure of Subtilisin-Propeptide Complex, PDB code: 1scj was solved by H.M.Berman, S.C.Jain, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	73.544, 92.210, 47.415, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 22

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

Calcium binding site 1 out of 2 in the Crystal Structure of Subtilisin-Propeptide Complex


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 Subtilisin-Propeptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca381 b:17.1 occ:1.00 O A:LEU75 2.5 11.0 1.0 O A:ILE79 2.5 15.0 1.0 O A:VAL81 2.5 12.8 1.0 OD1 A:ASN77 2.5 14.1 1.0 OD1 A:ASP41 2.6 9.9 1.0 OE1 A:GLN2 2.7 14.8 1.0 OD2 A:ASP41 2.8 11.9 1.0 CG A:ASP41 3.0 11.9 1.0 CG A:ASN77 3.4 14.9 1.0 CD A:GLN2 3.6 15.9 1.0 C A:ILE79 3.6 16.7 1.0 C A:LEU75 3.6 13.7 1.0 C A:VAL81 3.6 13.4 1.0 ND2 A:ASN77 3.7 17.1 1.0 N A:VAL81 3.8 12.7 1.0 CG A:GLN2 3.9 16.1 1.0 N A:ASN77 4.0 14.0 1.0 C A:GLY80 4.2 12.5 1.0 CA A:VAL81 4.3 12.2 1.0 N A:ILE79 4.3 18.3 1.0 CG1 A:ILE79 4.3 15.3 1.0 N A:LEU75 4.4 13.3 1.0 N A:GLY80 4.4 13.8 1.0 CA A:LEU75 4.4 14.0 1.0 CA A:GLY80 4.5 14.8 1.0 CA A:ILE79 4.5 16.3 1.0 CB A:ASP41 4.5 11.2 1.0 N A:ASN76 4.6 13.8 1.0 CB A:ASN77 4.6 15.1 1.0 CA A:ASN76 4.6 14.7 1.0 CA A:ASN77 4.6 16.7 1.0 CB A:LEU75 4.7 15.7 1.0 N A:LEU82 4.7 13.9 1.0 CB A:GLN2 4.7 17.2 1.0 NE2 A:GLN2 4.7 14.7 1.0 C A:ASN76 4.7 14.3 1.0 C A:ASN77 4.7 16.7 1.0 O A:ASN77 4.8 17.1 1.0 C A:ALA74 4.8 13.5 1.0 CA A:LEU82 4.9 11.2 1.0 O A:GLY80 4.9 11.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Subtilisin-Propeptide Complex


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 Subtilisin-Propeptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca382 b:40.4 occ:1.00 O A:HOH401 2.6 10.7 1.0 O A:ALA169 2.6 14.7 1.0 O A:THR174 2.6 12.5 1.0 O A:TYR171 2.8 14.5 1.0 OG1 A:THR174 3.1 11.5 1.0 OD2 A:ASP197 3.4 18.9 1.0 C A:THR174 3.5 13.9 1.0 C A:TYR171 3.7 16.5 1.0 N A:ALA176 3.7 11.9 1.0 C A:ALA169 3.7 14.4 1.0 CB A:ALA176 3.8 8.9 1.0 N A:THR174 4.0 11.3 1.0 CA A:THR174 4.0 13.5 1.0 CB A:THR174 4.1 14.4 1.0 O A:GLU195 4.1 13.8 1.0 O A:PRO172 4.2 13.5 1.0 CA A:PRO172 4.2 16.4 1.0 C A:PRO172 4.2 14.9 1.0 CA A:ALA176 4.3 11.1 1.0 C A:LYS170 4.3 15.7 1.0 N A:ILE175 4.3 11.9 1.0 O A:LYS170 4.3 15.0 1.0 N A:PRO172 4.3 15.1 1.0 C A:ILE175 4.4 12.1 1.0 NH2 A:ARG247 4.4 19.1 1.0 N A:TYR171 4.4 15.1 1.0 CG A:ASP197 4.5 17.9 1.0 CA A:ALA169 4.5 13.8 1.0 CA A:ILE175 4.5 11.4 1.0 N A:LYS170 4.7 15.3 1.0 CA A:TYR171 4.7 14.2 1.0 CA A:LYS170 4.8 14.7 1.0 OD1 A:ASP197 4.9 16.7 1.0 N A:SER173 4.9 13.2 1.0 O A:PRO168 4.9 11.0 1.0

S.C.Jain, U.Shinde, Y.Li, M.Inouye, H.M.Berman. The Crystal Structure of An Autoprocessed SER221CYS-Subtilisin E-Propeptide Complex at 2.0 A Resolution. J.Mol.Biol. V. 284 137 1998.
ISSN: ISSN 0022-2836
PubMed: 9811547
DOI: 10.1006/JMBI.1998.2161