Calcium in PDB 1tk2: Crystal Structure of the Complex Formed Between Alkaline Proteinase Savinase and Gramicidin S at 1.5A Resolution

All present enzymatic activity of Crystal Structure of the Complex Formed Between Alkaline Proteinase Savinase and Gramicidin S at 1.5A Resolution:
3.4.21.62;

The structure of Crystal Structure of the Complex Formed Between Alkaline Proteinase Savinase and Gramicidin S at 1.5A Resolution, PDB code: 1tk2 was solved by V.S.Bhatt, P.Kaur, S.Klupsch, C.Betzel, S.Brenner, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.32 / 1.54
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.250, 73.340, 40.890, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 18.9

The binding sites of Calcium atom in the Crystal Structure of the Complex Formed Between Alkaline Proteinase Savinase and Gramicidin S at 1.5A Resolution (pdb code 1tk2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the Complex Formed Between Alkaline Proteinase Savinase and Gramicidin S at 1.5A Resolution, PDB code: 1tk2:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Complex Formed Between Alkaline Proteinase Savinase and Gramicidin S at 1.5A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Complex Formed Between Alkaline Proteinase Savinase and Gramicidin S at 1.5A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1276 b:2.0 occ:1.00 O A:ALA169 2.3 13.6 1.0 O A:HOH2137 2.3 17.5 1.0 O A:ALA174 2.3 12.0 1.0 O A:TYR171 2.3 12.4 1.0 O A:HOH2114 2.7 32.3 1.0 C A:TYR171 3.3 14.0 1.0 C A:ALA174 3.4 12.3 1.0 C A:ALA169 3.5 13.0 1.0 C A:ARG170 3.8 14.8 1.0 N A:TYR171 3.9 13.7 1.0 O A:ARG170 3.9 16.9 1.0 O A:ALA172 4.0 14.2 1.0 N A:ALA174 4.0 11.7 1.0 C A:ALA172 4.1 13.1 1.0 CA A:ALA174 4.1 11.2 1.0 O A:GLY195 4.1 15.9 1.0 N A:ALA172 4.1 13.3 1.0 CA A:ALA172 4.1 13.1 1.0 CA A:ARG170 4.2 14.2 1.0 CB A:ALA174 4.2 11.7 1.0 CA A:TYR171 4.2 13.1 1.0 N A:ARG170 4.2 13.0 1.0 OD2 A:ASP197 4.2 14.8 1.0 NH2 A:ARG247 4.3 16.4 1.0 CB A:ALA176 4.4 10.5 1.0 N A:ALA176 4.5 10.2 1.0 CA A:ALA169 4.5 12.2 1.0 N A:MET175 4.5 10.6 1.0 CA A:MET175 4.7 11.1 1.0 C A:MET175 4.8 12.5 1.0 O A:PRO168 4.8 11.9 1.0 N A:ASN173 4.8 13.1 1.0 CA A:ALA176 5.0 9.2 1.0 CD1 A:ILE165 5.0 20.3 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Complex Formed Between Alkaline Proteinase Savinase and Gramicidin S at 1.5A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Complex Formed Between Alkaline Proteinase Savinase and Gramicidin S at 1.5A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1277 b:2.0 occ:1.00 O A:ILE79 2.2 15.7 1.0 OE1 A:GLN2 2.3 16.4 1.0 ND2 A:ASN77 2.3 13.4 1.0 O A:VAL81 2.4 11.8 1.0 O A:LEU75 2.5 13.6 1.0 OD2 A:ASP41 2.5 12.8 1.0 OD1 A:ASP41 2.5 14.7 1.0 CG A:ASP41 2.9 12.3 1.0 CD A:GLN2 3.3 20.1 1.0 CG A:ASN77 3.4 18.1 1.0 C A:ILE79 3.4 16.9 1.0 C A:VAL81 3.5 12.0 1.0 C A:LEU75 3.6 14.4 1.0 N A:VAL81 3.7 13.9 1.0 CG A:GLN2 3.8 20.5 1.0 OD1 A:ASN77 3.9 20.6 1.0 N A:ASN77 4.0 18.6 1.0 C A:GLY80 4.1 15.8 1.0 CA A:VAL81 4.2 12.6 1.0 N A:ILE79 4.3 20.6 1.0 CA A:GLY80 4.3 15.7 1.0 N A:GLY80 4.3 16.8 1.0 N A:LEU75 4.4 11.6 1.0 CB A:ASP41 4.4 14.1 1.0 CG1 A:ILE79 4.4 21.3 1.0 CA A:ILE79 4.4 19.4 1.0 CA A:LEU75 4.5 12.9 1.0 CB A:GLN2 4.5 20.8 1.0 NE2 A:GLN2 4.5 20.0 1.0 N A:LEU82 4.6 13.1 1.0 N A:ASN76 4.6 15.1 1.0 CB A:ASN77 4.6 20.4 1.0 CA A:ASN76 4.7 17.8 1.0 CA A:ASN77 4.7 20.3 1.0 C A:ASN77 4.7 21.1 1.0 O A:GLY80 4.7 17.2 1.0 O A:ASN77 4.8 21.8 1.0 C A:ASN76 4.8 18.4 1.0 CA A:LEU82 4.8 13.7 1.0 CB A:LEU75 4.8 13.3 1.0 C A:ALA74 4.9 10.8 1.0

V.S.Bhatt, P.Kaur, S.Klupsch, C.Betzel, S.Brenner, T.P.Singh. Crystal Structure of the Complex Formed Between Alkaline Proteinase Savinase and Gramicidin S at 1.5A Resolution. To Be Published.