Calcium in PDB 1ndq: Bacillus Lentus Subtilisin

All present enzymatic activity of Bacillus Lentus Subtilisin:
3.4.21.62;

The structure of Bacillus Lentus Subtilisin, PDB code: 1ndq was solved by X.Pan, R.Bott, C.E.Glatz, 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 (°)	47.600, 62.400, 75.800, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 22.9

The binding sites of Calcium atom in the Bacillus Lentus Subtilisin (pdb code 1ndq). 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, PDB code: 1ndq:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Bacillus Lentus Subtilisin


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca276 b:9.3 occ:0.98 OD1 A:ASP41 2.3 13.7 1.0 O A:LEU75 2.3 12.1 1.0 O A:ILE79 2.3 9.0 1.0 O A:VAL81 2.4 11.4 1.0 OE1 A:GLN2 2.5 14.6 1.0 OD2 A:ASP41 2.5 10.3 1.0 OD1 A:ASN77 2.5 11.1 1.0 CG A:ASP41 2.8 13.2 1.0 CG A:ASN77 3.5 15.0 1.0 C A:LEU75 3.5 9.7 1.0 C A:ILE79 3.5 10.8 1.0 CD A:GLN2 3.5 14.2 1.0 C A:VAL81 3.6 11.9 1.0 N A:VAL81 3.8 8.8 1.0 ND2 A:ASN77 3.9 8.5 1.0 N A:ASN77 4.0 5.5 1.0 CG A:GLN2 4.0 17.4 1.0 C A:GLY80 4.2 9.0 1.0 CB A:ASP41 4.2 10.4 1.0 N A:LEU75 4.2 11.2 1.0 CA A:LEU75 4.3 11.9 1.0 N A:GLY80 4.3 12.3 1.0 CA A:GLY80 4.3 9.6 1.0 CA A:VAL81 4.3 7.8 1.0 N A:ILE79 4.4 12.7 1.0 CG1 A:ILE79 4.5 9.9 1.0 N A:ASN76 4.5 15.6 1.0 CA A:ILE79 4.5 9.5 1.0 N A:LEU82 4.6 8.8 1.0 CB A:LEU75 4.6 10.6 1.0 CA A:ASN76 4.7 12.9 1.0 CB A:ASN77 4.7 15.8 1.0 NE2 A:GLN2 4.7 9.6 1.0 CA A:ASN77 4.7 8.3 1.0 CB A:GLN2 4.7 13.6 1.0 C A:ASN76 4.8 12.4 1.0 C A:ASN77 4.8 11.4 1.0 C A:ALA74 4.8 15.0 1.0 O A:ASN77 4.8 17.6 1.0 CA A:LEU82 4.8 4.8 1.0 O A:GLY80 4.9 12.8 1.0

Calcium binding site 2 out of 2 in the Bacillus Lentus Subtilisin


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca277 b:24.5 occ:0.74 O A:ALA169 2.3 9.8 1.0 O A:TYR171 2.3 9.3 1.0 O A:ALA174 2.4 12.1 1.0 O A:HOH332 2.4 21.6 1.0 C A:TYR171 3.3 12.2 1.0 C A:ALA169 3.5 12.4 1.0 C A:ALA174 3.5 9.2 1.0 C A:ARG170 3.8 12.0 1.0 N A:TYR171 3.9 8.1 1.0 O A:GLY195 4.0 14.2 1.0 N A:ALA174 4.0 11.6 1.0 O A:ARG170 4.0 18.0 1.0 O A:ALA172 4.1 14.0 1.0 OD2 A:ASP197 4.1 22.8 1.0 CB A:ALA176 4.1 8.5 1.0 N A:ALA172 4.1 10.7 1.0 CA A:ALA172 4.1 14.8 1.0 CA A:ARG170 4.2 12.1 1.0 CA A:ALA174 4.2 12.5 1.0 C A:ALA172 4.2 10.6 1.0 NH2 A:ARG247 4.2 20.0 1.0 N A:ALA176 4.2 8.1 1.0 N A:ARG170 4.2 12.3 1.0 CA A:TYR171 4.2 7.8 1.0 CB A:ALA174 4.3 12.3 1.0 CA A:ALA169 4.4 12.8 1.0 N A:MET175 4.6 10.3 1.0 O A:PRO168 4.7 13.7 1.0 C A:MET175 4.7 10.5 1.0 CA A:MET175 4.7 14.4 1.0 CA A:ALA176 4.7 6.0 1.0 N A:ASN173 4.9 14.6 1.0 C A:GLY195 4.9 13.0 1.0

X.Pan, R.Bott, C.E.Glatz. Subtilisin Surface Properties and Crystal Growth Kinetics J.Cryst.Growth V. 254 492 2003.
ISSN: ISSN 0022-0248
DOI: 10.1016/S0022-0248(03)01178-3