Calcium in PDB 2xxl: Crystal Structure of Drosophila Grass Clip Serine Protease of Toll Pathway

All present enzymatic activity of Crystal Structure of Drosophila Grass Clip Serine Protease of Toll Pathway:
3.4.21.4;

The structure of Crystal Structure of Drosophila Grass Clip Serine Protease of Toll Pathway, PDB code: 2xxl was solved by C.Kellenberger, P.Leone, L.Coquet, T.Jouenne, J.M.Reichhart, A.Roussel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.36 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.260, 92.040, 113.340, 90.00, 90.00, 90.00
R / Rfree (%)	17.67 / 20.29

The binding sites of Calcium atom in the Crystal Structure of Drosophila Grass Clip Serine Protease of Toll Pathway (pdb code 2xxl). 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 Drosophila Grass Clip Serine Protease of Toll Pathway, PDB code: 2xxl:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Drosophila Grass Clip Serine Protease of Toll Pathway


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 Drosophila Grass Clip Serine Protease of Toll Pathway within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1386 b:10.6 occ:1.00 O A:ARG181 2.3 12.5 1.0 O A:THR184 2.3 10.8 1.0 OE1 A:GLU179 2.4 8.6 1.0 O A:HOH2201 2.4 10.1 1.0 OD1 A:ASP187 2.5 11.2 1.0 OD2 A:ASP187 2.5 11.2 1.0 O A:HOH2189 2.5 11.6 1.0 CG A:ASP187 2.8 12.4 1.0 CD A:GLU179 3.4 11.7 1.0 C A:ARG181 3.4 13.1 1.0 C A:THR184 3.6 14.6 1.0 OE2 A:GLU179 3.7 9.8 1.0 N A:ARG181 3.9 9.2 1.0 OG1 A:THR184 4.0 11.4 1.0 CA A:ARG181 4.2 8.5 1.0 CB A:ASP187 4.2 9.6 1.0 O A:ILE182 4.4 13.1 1.0 N A:ILE182 4.4 10.1 1.0 N A:THR184 4.4 11.9 1.0 CA A:THR184 4.4 11.2 1.0 C A:GLU185 4.5 15.2 1.0 CG1 A:VAL201 4.5 10.1 1.0 N A:HIS180 4.5 7.6 1.0 N A:GLU185 4.5 13.9 1.0 O A:GLU185 4.5 15.7 1.0 CA A:ILE182 4.5 9.2 1.0 C A:ILE182 4.6 13.9 1.0 CA A:GLU185 4.6 13.9 1.0 O A:HOH2092 4.6 27.3 1.0 O A:HOH2217 4.6 9.8 1.0 CB A:ARG181 4.7 8.0 1.0 O A:HOH2188 4.7 9.4 1.0 CG A:GLU179 4.7 7.8 1.0 CB A:THR184 4.8 16.0 1.0 N A:ASP187 4.9 9.8 1.0 N A:GLU186 4.9 10.8 1.0 C A:HIS180 4.9 12.1 1.0 C A:GLU186 5.0 13.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Drosophila Grass Clip Serine Protease of Toll Pathway


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 Drosophila Grass Clip Serine Protease of Toll Pathway within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1389 b:10.4 occ:1.00 O B:THR184 2.3 11.9 1.0 O B:ARG181 2.3 11.5 1.0 O B:HOH2200 2.4 9.6 1.0 OE1 B:GLU179 2.4 10.1 1.0 O B:HOH2191 2.5 12.6 1.0 OD1 B:ASP187 2.5 10.4 1.0 OD2 B:ASP187 2.5 10.3 1.0 CG B:ASP187 2.8 10.0 1.0 CD B:GLU179 3.4 12.3 1.0 C B:ARG181 3.5 12.6 1.0 C B:THR184 3.5 14.7 1.0 OE2 B:GLU179 3.7 11.2 1.0 OG1 B:THR184 3.9 13.3 1.0 N B:ARG181 3.9 8.8 1.0 CA B:ARG181 4.2 8.1 1.0 CB B:ASP187 4.2 8.3 1.0 N B:THR184 4.4 10.9 1.0 CA B:THR184 4.4 10.5 1.0 O B:ILE182 4.4 15.0 1.0 N B:ILE182 4.4 9.3 1.0 C B:GLU185 4.5 14.9 1.0 O B:HOH2096 4.5 22.9 1.0 N B:GLU185 4.5 13.5 1.0 CG1 B:VAL201 4.5 7.6 1.0 O B:GLU185 4.5 14.5 1.0 CA B:GLU185 4.5 13.1 1.0 CA B:ILE182 4.6 9.1 1.0 N B:HIS180 4.6 7.1 1.0 C B:ILE182 4.6 13.7 1.0 O B:HOH2220 4.7 9.4 1.0 O B:HOH2190 4.7 9.7 1.0 CB B:ARG181 4.7 6.8 1.0 CB B:THR184 4.7 12.2 1.0 CG B:GLU179 4.8 8.6 1.0 O B:HOH2196 4.9 57.1 1.0 N B:ASP187 4.9 8.7 1.0 N B:GLU186 4.9 10.7 1.0 C B:HIS180 5.0 11.6 1.0 C B:GLU186 5.0 12.8 1.0

C.Kellenberger, P.Leone, L.Coquet, T.Jouenne, J.M.Reichhart, A.Roussel. Structure-Function Analysis of Grass Clip Serine Protease Involved in Drosophila Toll Pathway Activation. J.Biol.Chem. V. 286 12300 2011.
ISSN: ISSN 0021-9258
PubMed: 21310954
DOI: 10.1074/JBC.M110.182741