Calcium in PDB 1c9j: Bacillus Lentus Subtilisin K27R/N87S/V104Y/N123S/T274A Variant

All present enzymatic activity of Bacillus Lentus Subtilisin K27R/N87S/V104Y/N123S/T274A Variant:
3.4.21.62;

The structure of Bacillus Lentus Subtilisin K27R/N87S/V104Y/N123S/T274A Variant, PDB code: 1c9j 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 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.000, 61.250, 75.100, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Calcium atom in the Bacillus Lentus Subtilisin K27R/N87S/V104Y/N123S/T274A Variant (pdb code 1c9j). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Bacillus Lentus Subtilisin K27R/N87S/V104Y/N123S/T274A Variant, PDB code: 1c9j:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Bacillus Lentus Subtilisin K27R/N87S/V104Y/N123S/T274A Variant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bacillus Lentus Subtilisin K27R/N87S/V104Y/N123S/T274A Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca277 b:6.7 occ:1.00 O A:LEU75 2.2 6.0 1.0 O A:VAL81 2.4 6.3 1.0 OE1 A:GLN2 2.4 7.6 1.0 O A:ILE79 2.4 5.9 1.0 OD2 A:ASP41 2.5 8.2 1.0 OD1 A:ASN77 2.5 6.1 1.0 OD1 A:ASP41 2.5 6.5 1.0 CG A:ASP41 2.9 6.5 1.0 CD A:GLN2 3.4 6.7 1.0 C A:LEU75 3.4 4.6 1.0 CG A:ASN77 3.5 7.5 1.0 C A:VAL81 3.5 8.2 1.0 C A:ILE79 3.6 7.7 1.0 N A:VAL81 3.7 7.1 1.0 CG A:GLN2 3.8 7.7 1.0 N A:ASN77 3.9 7.3 1.0 ND2 A:ASN77 3.9 7.8 1.0 C A:GLY80 4.1 7.5 1.0 CA A:VAL81 4.2 7.6 1.0 N A:LEU75 4.3 6.1 1.0 CA A:LEU75 4.3 4.5 1.0 CB A:ASP41 4.4 5.6 1.0 N A:ILE79 4.4 6.7 1.0 N A:ASN76 4.4 5.3 1.0 N A:GLY80 4.4 6.1 1.0 CA A:GLY80 4.5 6.9 1.0 NE2 A:GLN2 4.5 6.1 1.0 CA A:ILE79 4.6 6.5 1.0 CA A:ASN76 4.6 6.0 1.0 CG1 A:ILE79 4.6 8.2 1.0 CB A:GLN2 4.6 8.9 1.0 N A:LEU82 4.6 7.4 1.0 O A:ASN77 4.6 8.7 1.0 CA A:ASN77 4.7 8.3 1.0 CB A:ASN77 4.7 6.6 1.0 C A:ASN77 4.7 8.8 1.0 C A:ALA74 4.7 6.2 1.0 C A:ASN76 4.7 7.2 1.0 CA A:LEU82 4.8 8.0 1.0 CB A:LEU75 4.8 4.9 1.0 O A:GLY80 4.8 6.9 1.0

Calcium binding site 2 out of 2 in the Bacillus Lentus Subtilisin K27R/N87S/V104Y/N123S/T274A Variant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Bacillus Lentus Subtilisin K27R/N87S/V104Y/N123S/T274A Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca278 b:34.9 occ:0.83 O A:ALA169 2.6 6.9 1.0 O A:ALA174 2.7 8.8 1.0 O A:TYR171 2.9 8.0 1.0 O A:HOH427 3.0 36.8 1.0 O A:GLY195 3.0 8.6 1.0 OD2 A:ASP197 3.3 10.9 1.0 O A:HOH426 3.7 29.8 0.9 C A:ALA169 3.8 7.4 1.0 C A:ALA174 3.9 9.9 1.0 O A:ARG170 3.9 7.4 1.0 CB A:ALA176 3.9 4.8 1.0 C A:TYR171 3.9 7.4 1.0 NH2 A:ARG247 4.0 13.3 1.0 C A:ARG170 4.0 7.5 1.0 C A:GLY195 4.0 7.6 1.0 N A:ALA176 4.1 5.6 1.0 CA A:GLY195 4.3 8.0 1.0 CA A:ARG170 4.4 7.4 1.0 CG A:ASP197 4.4 12.0 1.0 N A:TYR171 4.4 5.8 1.0 N A:ARG170 4.5 8.1 1.0 CA A:ALA172 4.6 8.8 1.0 O A:ALA172 4.6 7.6 1.0 CA A:ALA176 4.6 4.6 1.0 N A:ALA172 4.7 7.6 1.0 C A:ALA172 4.7 8.9 1.0 CA A:ALA174 4.7 9.0 1.0 N A:ALA174 4.7 10.9 1.0 N A:MET175 4.8 8.4 1.0 C A:MET175 4.8 7.7 1.0 CA A:MET175 4.8 8.2 1.0 OD1 A:ASP197 4.8 15.7 1.0 CA A:TYR171 4.8 6.7 1.0 CA A:ALA169 4.9 6.4 1.0 CB A:ALA174 4.9 8.6 1.0 CD1 A:ILE165 4.9 15.3 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