Calcium in PDB 1jea: Altered Topology and Flexibility in Engineered Subtilisin

All present enzymatic activity of Altered Topology and Flexibility in Engineered Subtilisin:
3.4.21.62;

The structure of Altered Topology and Flexibility in Engineered Subtilisin, PDB code: 1jea was solved by R.Bott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.400, 61.350, 75.150, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Calcium atom in the Altered Topology and Flexibility in Engineered Subtilisin (pdb code 1jea). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Altered Topology and Flexibility in Engineered Subtilisin, PDB code: 1jea:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Altered Topology and Flexibility in Engineered Subtilisin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Altered Topology and Flexibility in Engineered Subtilisin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca276 b:14.6 occ:1.00 O A:LEU75 2.2 4.9 1.0 O A:ILE79 2.4 2.9 1.0 OE1 A:GLN2 2.4 6.7 1.0 O A:VAL81 2.5 3.8 1.0 OD1 A:ASP41 2.5 3.1 1.0 OD2 A:ASP41 2.5 2.6 1.0 OD1 A:ASN77 2.5 4.7 1.0 CG A:ASP41 2.9 2.2 1.0 C A:LEU75 3.4 4.0 1.0 CD A:GLN2 3.5 6.0 1.0 CG A:ASN77 3.5 5.7 1.0 C A:ILE79 3.6 3.9 1.0 C A:VAL81 3.6 4.5 1.0 N A:VAL81 3.8 3.8 1.0 ND2 A:ASN77 3.9 5.0 1.0 N A:ASN77 3.9 6.2 1.0 CG A:GLN2 4.0 6.8 1.0 C A:GLY80 4.2 3.2 1.0 CA A:LEU75 4.3 3.6 1.0 CA A:VAL81 4.3 4.1 1.0 N A:LEU75 4.3 3.8 1.0 N A:ASN76 4.3 4.5 1.0 N A:ILE79 4.4 3.6 1.0 CB A:ASP41 4.4 2.4 1.0 N A:GLY80 4.4 2.8 1.0 CG1 A:ILE79 4.4 4.2 1.0 CA A:ASN76 4.5 6.0 1.0 CA A:GLY80 4.5 3.5 1.0 CA A:ILE79 4.5 3.7 1.0 NE2 A:GLN2 4.6 5.9 1.0 O A:ASN77 4.6 5.3 1.0 C A:ASN76 4.7 6.7 1.0 CB A:ASN77 4.7 5.7 1.0 C A:ALA74 4.7 3.3 1.0 N A:LEU82 4.7 3.3 1.0 CB A:LEU75 4.7 3.6 1.0 CB A:GLN2 4.7 8.0 1.0 CA A:ASN77 4.7 6.5 1.0 C A:ASN77 4.8 6.7 1.0 O A:GLY80 4.9 2.0 1.0 CA A:LEU82 4.9 3.7 1.0 O A:ALA74 4.9 3.5 1.0 CB A:ALA74 5.0 2.0 1.0

Calcium binding site 2 out of 2 in the Altered Topology and Flexibility in Engineered Subtilisin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Altered Topology and Flexibility in Engineered Subtilisin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca277 b:31.5 occ:0.79 O A:GLY195 2.6 5.2 1.0 O A:ALA169 2.7 3.0 1.0 O A:HOH367 2.9 28.7 0.9 O A:ALA174 2.9 7.9 1.0 O A:TYR171 3.1 6.5 1.0 OD2 A:ASP197 3.2 7.8 1.0 C A:GLY195 3.5 5.5 1.0 O A:ARG170 3.7 5.5 1.0 CA A:GLY195 3.7 5.4 1.0 CB A:ALA176 3.9 4.0 1.0 C A:ALA169 3.9 3.9 1.0 C A:TYR171 4.0 6.3 1.0 C A:ARG170 4.0 5.5 1.0 NH2 A:ARG247 4.0 9.7 1.0 C A:ALA174 4.1 7.8 1.0 N A:ALA176 4.2 5.3 1.0 CG A:ASP197 4.3 7.4 1.0 CA A:ARG170 4.4 5.5 1.0 N A:TYR171 4.5 6.1 1.0 CA A:ALA172 4.6 6.6 1.0 OD1 A:ASP197 4.6 9.8 1.0 CD1 A:ILE165 4.6 7.6 1.0 N A:ARG170 4.7 3.9 1.0 N A:ALA172 4.7 5.6 1.0 CA A:ALA176 4.7 4.9 1.0 O A:ALA172 4.7 6.4 1.0 C A:ALA172 4.8 7.3 1.0 N A:LEU196 4.8 5.3 1.0 CA A:TYR171 4.9 5.3 1.0 CA A:ALA174 4.9 7.5 1.0 CB A:ALA174 5.0 6.1 1.0 N A:ALA174 5.0 9.2 1.0

T.Graycar, M.Knapp, G.Ganshaw, J.Dauberman, R.Bott. Engineered Bacillus Lentus Subtilisins Having Altered Flexibility. J.Mol.Biol. V. 292 97 1999.
ISSN: ISSN 0022-2836
PubMed: 10493860
DOI: 10.1006/JMBI.1999.3033