Calcium in PDB 1ndu: Bacillus Lentus Subtilisin Variant S101G/V104N

All present enzymatic activity of Bacillus Lentus Subtilisin Variant S101G/V104N:
3.4.21.62;

The structure of Bacillus Lentus Subtilisin Variant S101G/V104N, PDB code: 1ndu 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 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.750, 62.500, 75.600, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 22.2

The binding sites of Calcium atom in the Bacillus Lentus Subtilisin Variant S101G/V104N (pdb code 1ndu). 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 Variant S101G/V104N, PDB code: 1ndu:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Bacillus Lentus Subtilisin Variant S101G/V104N


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 Variant S101G/V104N within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca277 b:14.0 occ:1.00 O A:LEU75 2.3 12.5 1.0 OD1 A:ASP41 2.4 15.7 1.0 O A:ILE79 2.4 14.2 1.0 OE1 A:GLN2 2.4 12.4 1.0 O A:VAL81 2.4 14.8 1.0 OD1 A:ASN77 2.4 12.3 1.0 OD2 A:ASP41 2.5 14.7 1.0 CG A:ASP41 2.8 12.1 1.0 CG A:ASN77 3.4 15.2 1.0 CD A:GLN2 3.4 16.1 1.0 C A:LEU75 3.5 17.2 1.0 C A:ILE79 3.6 18.3 1.0 C A:VAL81 3.6 13.6 1.0 N A:VAL81 3.7 13.7 1.0 CG A:GLN2 3.9 18.9 1.0 ND2 A:ASN77 3.9 15.2 1.0 N A:ASN77 4.0 12.3 1.0 C A:GLY80 4.1 13.6 1.0 N A:LEU75 4.2 13.8 1.0 CB A:ASP41 4.3 15.4 1.0 CA A:VAL81 4.3 13.8 1.0 CA A:GLY80 4.3 12.2 1.0 CA A:LEU75 4.3 16.0 1.0 N A:ILE79 4.4 17.3 1.0 N A:GLY80 4.4 18.4 1.0 CG1 A:ILE79 4.4 16.9 1.0 N A:ASN76 4.5 16.5 1.0 CA A:ILE79 4.5 18.2 1.0 NE2 A:GLN2 4.6 13.4 1.0 CA A:ASN76 4.6 15.3 1.0 N A:LEU82 4.6 12.7 1.0 CB A:ASN77 4.6 15.4 1.0 CA A:ASN77 4.7 16.4 1.0 O A:ASN77 4.7 15.8 1.0 C A:ASN77 4.7 13.1 1.0 C A:ASN76 4.7 13.9 1.0 CB A:LEU75 4.7 18.1 1.0 C A:ALA74 4.7 15.0 1.0 CB A:GLN2 4.8 16.5 1.0 CA A:LEU82 4.8 10.8 1.0 O A:GLY80 4.9 15.8 1.0

Calcium binding site 2 out of 2 in the Bacillus Lentus Subtilisin Variant S101G/V104N


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 Variant S101G/V104N within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca278 b:28.5 occ:0.92 O A:ALA169 2.3 14.2 1.0 O A:ALA174 2.3 14.6 1.0 O A:TYR171 2.3 14.6 1.0 O A:HOH375 2.5 17.8 0.9 O A:HOH376 2.6 30.4 0.8 C A:TYR171 3.4 14.8 1.0 C A:ALA169 3.5 15.9 1.0 C A:ALA174 3.5 13.1 1.0 C A:ARG170 3.7 15.2 1.0 N A:TYR171 3.9 13.0 1.0 O A:ARG170 3.9 22.8 1.0 O A:GLY195 4.0 21.2 1.0 O A:ALA172 4.1 17.2 1.0 N A:ALA174 4.1 13.2 1.0 CA A:ALA174 4.1 14.4 1.0 CA A:ARG170 4.1 15.1 1.0 OD2 A:ASP197 4.2 22.6 1.0 C A:ALA172 4.2 14.4 1.0 CA A:ALA172 4.2 17.3 1.0 CB A:ALA176 4.2 15.4 1.0 CB A:ALA174 4.2 14.8 1.0 N A:ALA172 4.2 13.8 1.0 N A:ARG170 4.3 11.5 1.0 CA A:TYR171 4.3 14.2 1.0 NH2 A:ARG247 4.3 26.5 1.0 N A:ALA176 4.4 13.0 1.0 CA A:ALA169 4.4 19.0 1.0 N A:MET175 4.5 13.7 1.0 O A:PRO168 4.7 17.6 1.0 C A:MET175 4.7 15.1 1.0 CA A:MET175 4.7 14.5 1.0 N A:ASN173 4.8 14.0 1.0 CA A:ALA176 4.9 13.6 1.0 C A:GLY195 4.9 21.8 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