Calcium in PDB 1c9n: Bacillus Lentus Substilisin Variant (Ser 87) K27R/V104Y/N123S/T274A

All present enzymatic activity of Bacillus Lentus Substilisin Variant (Ser 87) K27R/V104Y/N123S/T274A:
3.4.21.62;

The structure of Bacillus Lentus Substilisin Variant (Ser 87) K27R/V104Y/N123S/T274A, PDB code: 1c9n 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 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.250, 54.150, 84.500, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Calcium atom in the Bacillus Lentus Substilisin Variant (Ser 87) K27R/V104Y/N123S/T274A (pdb code 1c9n). 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 Substilisin Variant (Ser 87) K27R/V104Y/N123S/T274A, PDB code: 1c9n:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Bacillus Lentus Substilisin Variant (Ser 87) K27R/V104Y/N123S/T274A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bacillus Lentus Substilisin Variant (Ser 87) K27R/V104Y/N123S/T274A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca277 b:13.4 occ:1.00 O A:ILE79 2.3 14.2 1.0 O A:LEU75 2.3 12.7 1.0 O A:VAL81 2.4 12.8 1.0 OE1 A:GLN2 2.4 13.6 1.0 OD1 A:ASN77 2.5 11.5 1.0 OD1 A:ASP41 2.5 14.1 1.0 OD2 A:ASP41 2.5 13.9 1.0 CG A:ASP41 2.8 12.7 1.0 CD A:GLN2 3.4 14.7 1.0 CG A:ASN77 3.4 12.8 1.0 C A:ILE79 3.5 14.0 1.0 C A:LEU75 3.5 11.3 1.0 C A:VAL81 3.5 12.3 1.0 N A:VAL81 3.7 12.5 1.0 ND2 A:ASN77 3.9 12.6 1.0 CG A:GLN2 3.9 15.0 1.0 N A:ASN77 4.0 12.6 1.0 C A:GLY80 4.1 13.9 1.0 CA A:VAL81 4.3 12.8 1.0 N A:LEU75 4.3 11.1 1.0 CG1 A:ILE79 4.3 13.4 1.0 CB A:ASP41 4.3 13.4 1.0 CA A:LEU75 4.3 12.0 1.0 N A:ILE79 4.4 13.6 1.0 CA A:GLY80 4.4 13.5 1.0 N A:GLY80 4.4 14.1 1.0 CA A:ILE79 4.5 13.9 1.0 N A:ASN76 4.5 11.8 1.0 N A:LEU82 4.5 12.1 1.0 CA A:ASN76 4.6 13.4 1.0 NE2 A:GLN2 4.6 15.4 1.0 CB A:GLN2 4.6 16.4 1.0 CB A:ASN77 4.7 12.5 1.0 CB A:LEU75 4.7 11.8 1.0 C A:ASN76 4.7 12.8 1.0 C A:ALA74 4.7 11.7 1.0 CA A:ASN77 4.7 13.6 1.0 O A:GLY80 4.7 15.0 1.0 C A:ASN77 4.8 14.3 1.0 CA A:LEU82 4.8 11.6 1.0 O A:ASN77 4.9 16.1 1.0 CB A:ALA74 4.9 11.6 1.0

Calcium binding site 2 out of 2 in the Bacillus Lentus Substilisin Variant (Ser 87) K27R/V104Y/N123S/T274A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Bacillus Lentus Substilisin Variant (Ser 87) K27R/V104Y/N123S/T274A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca278 b:43.7 occ:0.86 O A:ALA174 2.7 14.2 1.0 O A:ALA169 2.9 13.7 1.0 O A:TYR171 3.1 15.4 1.0 O A:GLY195 3.2 16.4 1.0 OD2 A:ASP197 3.2 18.2 1.0 NH2 A:ARG247 3.7 19.4 1.0 C A:ALA174 3.9 13.7 1.0 CB A:ALA176 4.0 10.0 1.0 N A:ALA176 4.1 11.0 1.0 C A:TYR171 4.1 15.9 1.0 O A:ARG170 4.1 18.9 1.0 C A:ALA169 4.2 13.9 1.0 C A:GLY195 4.2 14.5 1.0 CG A:ASP197 4.3 17.8 1.0 O A:ALA172 4.3 17.1 1.0 C A:ARG170 4.3 18.1 1.0 CA A:GLY195 4.4 14.5 1.0 OD1 A:ASP197 4.5 21.0 1.0 CA A:ALA172 4.5 16.2 1.0 C A:ALA172 4.6 16.4 1.0 CZ A:ARG247 4.7 20.4 1.0 CA A:MET175 4.7 12.9 1.0 CA A:ARG170 4.7 18.7 1.0 CA A:ALA176 4.7 10.9 1.0 C A:MET175 4.7 12.2 1.0 N A:ALA174 4.7 14.7 1.0 N A:ALA172 4.8 15.6 1.0 N A:MET175 4.8 12.8 1.0 CA A:ALA174 4.8 13.8 1.0 N A:TYR171 4.8 16.3 1.0 N A:ARG170 4.9 14.6 1.0 CD1 A:ILE165 5.0 19.9 1.0 CB A:ALA174 5.0 13.6 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