Calcium in PDB 2b30: Initial Crystallographic Structural Analysis of A Putative Had/Cof-Like Hydrolase From Plasmodium Vivax

The structure of Initial Crystallographic Structural Analysis of A Putative Had/Cof-Like Hydrolase From Plasmodium Vivax, PDB code: 2b30 was solved by M.A.Robien, J.Bosch, W.G.J.Hol, Structural Genomics Ofpathogenic Protozoa Consortium (Sgpp), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.24 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.101, 101.792, 97.337, 90.00, 93.93, 90.00
R / Rfree (%)	19.7 / 26

The structure of Initial Crystallographic Structural Analysis of A Putative Had/Cof-Like Hydrolase From Plasmodium Vivax also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Calcium atom in the Initial Crystallographic Structural Analysis of A Putative Had/Cof-Like Hydrolase From Plasmodium Vivax (pdb code 2b30). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Initial Crystallographic Structural Analysis of A Putative Had/Cof-Like Hydrolase From Plasmodium Vivax, PDB code: 2b30:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Initial Crystallographic Structural Analysis of A Putative Had/Cof-Like Hydrolase From Plasmodium Vivax


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Initial Crystallographic Structural Analysis of A Putative Had/Cof-Like Hydrolase From Plasmodium Vivax within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:42.9 occ:1.00 OD2 A:ASP33 2.2 40.0 1.0 O A:ASP35 2.3 43.1 1.0 OD1 A:ASP248 2.6 48.3 1.0 OD1 A:ASP33 2.8 40.7 1.0 CG A:ASP33 2.9 36.9 1.0 CL A:CL303 3.2 31.2 1.0 C A:ASP35 3.5 39.6 1.0 CG A:ASP248 3.6 43.4 1.0 OD2 A:ASP252 3.8 47.4 1.0 OD2 A:ASP248 3.8 48.8 1.0 N A:ASP35 4.0 37.7 1.0 CA A:ASP35 4.1 37.9 1.0 CB A:ASP35 4.2 38.1 1.0 CB A:ASP33 4.4 35.7 1.0 OD1 A:ASN251 4.5 35.4 1.0 N A:GLY36 4.5 39.3 1.0 CB A:ALA249 4.5 37.1 1.0 NZ A:LYS225 4.6 29.8 1.0 CG A:ASP252 4.7 40.5 1.0 C A:PHE34 4.7 37.0 1.0 OD1 A:ASP252 4.7 46.9 1.0 N A:PHE34 4.8 34.3 1.0 CA A:GLY36 4.8 38.8 1.0 OG1 A:THR37 4.8 30.3 1.0 CB A:ASP248 4.9 39.1 1.0

Calcium binding site 2 out of 4 in the Initial Crystallographic Structural Analysis of A Putative Had/Cof-Like Hydrolase From Plasmodium Vivax


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Initial Crystallographic Structural Analysis of A Putative Had/Cof-Like Hydrolase From Plasmodium Vivax within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:41.3 occ:1.00 OD2 B:ASP33 2.2 25.7 1.0 O B:ASP35 2.3 31.2 1.0 OD1 B:ASP248 2.5 35.1 1.0 OD1 B:ASP33 2.9 34.5 1.0 CG B:ASP33 2.9 31.4 1.0 CL B:CL303 3.3 33.4 1.0 C B:ASP35 3.5 30.8 1.0 OD2 B:ASP252 3.6 40.9 1.0 CG B:ASP248 3.6 32.6 1.0 N B:ASP35 4.1 31.1 1.0 OD2 B:ASP248 4.1 38.3 1.0 CA B:ASP35 4.1 32.8 1.0 CB B:ASP35 4.3 34.7 1.0 CB B:ASP33 4.3 32.8 1.0 NZ B:LYS225 4.4 22.9 1.0 OD1 B:ASN251 4.5 38.3 1.0 N B:GLY36 4.5 31.5 1.0 CB B:ALA249 4.5 29.9 1.0 CG B:ASP252 4.5 38.7 1.0 OD1 B:ASP252 4.7 43.4 1.0 CA B:GLY36 4.8 31.7 1.0 C B:PHE34 4.8 29.6 1.0 CB B:ASP248 4.8 33.2 1.0 OG1 B:THR37 4.8 29.4 1.0 N B:PHE34 4.9 31.8 1.0 N B:ALA249 5.0 30.8 1.0

Calcium binding site 3 out of 4 in the Initial Crystallographic Structural Analysis of A Putative Had/Cof-Like Hydrolase From Plasmodium Vivax


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Initial Crystallographic Structural Analysis of A Putative Had/Cof-Like Hydrolase From Plasmodium Vivax within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca302 b:34.7 occ:1.00 OD2 C:ASP33 2.1 21.1 1.0 O C:ASP35 2.4 37.4 1.0 OD1 C:ASP248 2.7 48.6 1.0 CG C:ASP33 2.8 29.3 1.0 OD1 C:ASP33 2.8 29.8 1.0 CL C:CL303 3.2 26.2 1.0 C C:ASP35 3.5 34.7 1.0 CG C:ASP248 3.8 42.0 1.0 OD2 C:ASP252 3.8 41.8 1.0 N C:ASP35 4.0 33.2 1.0 CA C:ASP35 4.2 33.0 1.0 OD2 C:ASP248 4.2 49.2 1.0 CB C:ASP33 4.3 31.0 1.0 CB C:ASP35 4.3 32.8 1.0 NZ C:LYS225 4.3 36.4 1.0 OD1 C:ASN251 4.5 39.1 1.0 N C:GLY36 4.6 34.9 1.0 CB C:ALA249 4.6 37.3 1.0 CG C:ASP252 4.7 38.5 1.0 OD1 C:ASP252 4.7 39.1 1.0 N C:PHE34 4.7 32.0 1.0 OG1 C:THR37 4.7 38.1 1.0 C C:PHE34 4.7 32.2 1.0 CA C:GLY36 4.9 35.5 1.0 N C:ALA249 5.0 34.8 1.0 CB C:ASP248 5.0 35.1 1.0

Calcium binding site 4 out of 4 in the Initial Crystallographic Structural Analysis of A Putative Had/Cof-Like Hydrolase From Plasmodium Vivax


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Initial Crystallographic Structural Analysis of A Putative Had/Cof-Like Hydrolase From Plasmodium Vivax within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca302 b:37.4 occ:1.00 O D:ASP35 2.2 35.7 1.0 OD2 D:ASP33 2.3 26.6 1.0 OD1 D:ASP248 2.5 36.8 1.0 OD1 D:ASP33 2.6 35.3 1.0 CG D:ASP33 2.8 28.8 1.0 CL D:CL303 3.1 30.2 1.0 C D:ASP35 3.3 36.4 1.0 CG D:ASP248 3.6 37.3 1.0 OD2 D:ASP252 3.9 35.3 1.0 CA D:ASP35 4.0 37.8 1.0 OD2 D:ASP248 4.1 39.1 1.0 N D:ASP35 4.1 37.8 1.0 CB D:ASP35 4.2 38.9 1.0 CB D:ASP33 4.4 30.2 1.0 N D:GLY36 4.4 36.2 1.0 OD1 D:ASN251 4.4 36.3 1.0 NZ D:LYS225 4.4 29.1 1.0 CB D:ALA249 4.7 37.8 1.0 CA D:GLY36 4.7 34.9 1.0 C D:PHE34 4.7 35.8 1.0 CB D:ASP248 4.8 33.9 1.0 N D:PHE34 4.8 33.7 1.0 CG D:ASP252 4.8 32.6 1.0 OD1 D:ASP252 4.9 32.8 1.0 OG1 D:THR37 5.0 32.2 1.0

M.A.Robien, J.Bosch, W.G.J.Hol, Structural Genomics Of Pathogenic Protozoaconsortium (Sgpp). Initial Crystallographic Structural Analysis of A Putative Had/Cof-Like Hydrolase From Plasmodium Vivax To Be Published.