Calcium in PDB 1s18: Structure and Protein Design of Human Apyrase

All present enzymatic activity of Structure and Protein Design of Human Apyrase:
3.6.1.5;

The structure of Structure and Protein Design of Human Apyrase, PDB code: 1s18 was solved by J.Dai, J.Liu, Y.Deng, T.M.Smith, M.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.55 / 1.70
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	43.163, 52.501, 77.925, 99.44, 106.58, 99.89
R / Rfree (%)	15.7 / 19.1

The binding sites of Calcium atom in the Structure and Protein Design of Human Apyrase (pdb code 1s18). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure and Protein Design of Human Apyrase, PDB code: 1s18:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure and Protein Design of Human Apyrase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure and Protein Design of Human Apyrase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1001 b:8.3 occ:1.00 O A:SER98 2.5 12.1 1.0 O A:GLU214 2.5 12.0 1.0 O A:SER275 2.6 13.8 1.0 O A:GLU145 2.6 13.2 1.0 O A:GLU326 2.7 11.1 1.0 O A:HOH3135 2.9 30.6 1.0 OD2 A:ASP99 2.9 20.7 1.0 CG A:ASP99 3.5 15.3 1.0 C A:GLU214 3.7 10.2 1.0 C A:SER98 3.8 12.0 1.0 C A:SER275 3.8 13.9 1.0 C A:GLU326 3.9 11.6 1.0 C A:GLU145 3.9 11.9 1.0 CB A:ASP99 3.9 11.9 1.0 CB A:GLU214 4.2 12.2 1.0 CA A:ASP99 4.2 11.3 1.0 CB A:GLU326 4.3 13.4 1.0 OD1 A:ASP99 4.3 13.1 1.0 CA A:GLU214 4.4 11.2 1.0 CA A:GLU326 4.5 12.2 1.0 CB A:SER276 4.5 13.1 1.0 N A:ASP99 4.5 11.3 1.0 CA A:TRP146 4.6 10.3 1.0 CA A:SER276 4.7 12.1 1.0 N A:SER276 4.7 13.5 1.0 N A:TRP146 4.7 10.9 1.0 CA A:SER275 4.7 13.9 1.0 N A:SER215 4.8 11.6 1.0 OE2 A:GLU214 4.8 25.5 1.0 CA A:SER98 4.9 12.4 1.0 CA A:GLU145 4.9 13.2 1.0 CB A:TRP146 4.9 10.9 1.0 CA A:SER215 4.9 11.5 1.0 OG A:SER276 4.9 16.0 1.0 N A:GLY327 5.0 10.1 1.0

Calcium binding site 2 out of 2 in the Structure and Protein Design of Human Apyrase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure and Protein Design of Human Apyrase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1002 b:3.5 occ:1.00 O B:SER98 2.4 12.7 1.0 O B:SER275 2.4 10.2 1.0 O B:GLU214 2.5 10.6 1.0 O B:GLU145 2.6 12.1 1.0 O B:HOH3020 2.6 15.4 1.0 OD2 B:ASP99 2.6 17.8 1.0 O B:GLU326 2.7 11.0 1.0 CG B:ASP99 3.4 14.8 1.0 C B:SER98 3.6 11.6 1.0 C B:GLU214 3.7 9.3 1.0 C B:SER275 3.7 10.1 1.0 CB B:ASP99 3.8 9.7 1.0 C B:GLU145 3.8 10.7 1.0 C B:GLU326 3.9 11.9 1.0 CB B:GLU214 4.1 9.9 1.0 CA B:ASP99 4.2 9.9 1.0 CB B:GLU326 4.2 12.8 1.0 CA B:GLU214 4.3 9.4 1.0 OD1 B:ASP99 4.4 14.7 1.0 N B:ASP99 4.4 10.0 1.0 CA B:GLU326 4.5 12.2 1.0 CB B:SER276 4.5 11.3 1.0 CA B:TRP146 4.6 9.3 1.0 N B:SER276 4.6 11.1 1.0 CA B:SER275 4.6 10.1 1.0 CA B:SER276 4.6 9.5 1.0 CA B:SER98 4.7 12.1 1.0 N B:TRP146 4.7 8.8 1.0 CA B:GLU145 4.7 12.0 1.0 N B:SER215 4.8 9.7 1.0 OE1 B:GLU214 4.8 19.8 1.0 CB B:SER98 4.9 13.1 1.0 OE1 B:GLU326 4.9 21.7 1.0 CA B:SER215 4.9 10.2 1.0 CB B:TRP146 5.0 8.8 1.0 CB B:SER275 5.0 10.8 1.0 N B:GLY327 5.0 9.1 1.0 OG B:SER276 5.0 11.4 1.0

J.Dai, J.Liu, Y.Deng, T.M.Smith, M.Lu. Structure and Protein Design of A Human Platelet Function Inhibitor. Cell(Cambridge,Mass.) V. 116 649 2004.
ISSN: ISSN 0092-8674
PubMed: 15006348
DOI: 10.1016/S0092-8674(04)00172-2