Chlorine 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:

Calcium

(Ca)

4 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Initial Crystallographic Structural Analysis of A Putative Had/Cof-Like Hydrolase From Plasmodium Vivax, PDB code: 2b30:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl303 b:31.2 occ:1.00 OG1 A:THR68 2.8 38.9 1.0 CA A:CA302 3.2 42.9 1.0 OD1 A:ASP33 3.3 40.7 1.0 N A:GLY69 3.6 35.1 1.0 CB A:THR68 3.9 38.9 1.0 OD1 A:ASP35 4.0 41.8 1.0 NZ A:LYS225 4.0 29.8 1.0 N A:ASP35 4.0 37.7 1.0 CA A:THR68 4.1 38.5 1.0 ND2 A:ASN251 4.1 27.8 1.0 CB A:ASP35 4.3 38.1 1.0 CG A:ASP33 4.3 36.9 1.0 C A:THR68 4.4 36.0 1.0 O A:ASP35 4.5 43.1 1.0 CA A:GLY69 4.5 34.8 1.0 OD2 A:ASP33 4.6 40.0 1.0 CG A:ASP35 4.6 38.1 1.0 N A:PHE34 4.7 34.3 1.0 CA A:ASP35 4.7 37.9 1.0 CB A:PHE34 4.8 36.0 1.0 CE A:LYS225 4.8 33.9 1.0 OD1 A:ASN251 4.9 35.4 1.0 C A:PHE34 4.9 37.0 1.0 CG A:ASN251 5.0 32.9 1.0 N A:ARG70 5.0 34.6 1.0 CA A:PHE34 5.0 36.4 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl303 b:33.4 occ:1.00 OG1 B:THR68 3.2 28.1 1.0 OD1 B:ASP33 3.3 34.5 1.0 CA B:CA302 3.3 41.3 1.0 N B:ASP35 3.6 31.1 1.0 N B:GLY69 3.7 28.0 1.0 CB B:ASP35 3.9 34.7 1.0 CA B:THR68 4.1 29.8 1.0 CB B:THR68 4.1 28.3 1.0 NZ B:LYS225 4.1 22.9 1.0 CG B:ASP33 4.2 31.4 1.0 CA B:ASP35 4.2 32.8 1.0 O B:ASP35 4.2 31.2 1.0 N B:PHE34 4.3 31.8 1.0 OD2 B:ASP33 4.4 25.7 1.0 C B:THR68 4.4 29.6 1.0 CB B:PHE34 4.5 30.1 1.0 OD2 B:ASP35 4.5 40.8 1.0 C B:PHE34 4.5 29.6 1.0 CA B:PHE34 4.6 31.6 1.0 ND2 B:ASN251 4.6 24.8 1.0 CA B:GLY69 4.7 28.1 1.0 C B:ASP35 4.7 30.8 1.0 CG B:ASP35 4.7 38.5 1.0 CE B:LYS225 4.9 29.5 1.0 O B:CYS67 5.0 28.7 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl303 b:26.2 occ:1.00 OD1 C:ASP33 3.2 29.8 1.0 CA C:CA302 3.2 34.7 1.0 OG1 C:THR68 3.3 34.7 1.0 N C:GLY69 3.7 34.2 1.0 OD1 C:ASP35 3.7 39.1 1.0 NZ C:LYS225 3.9 36.4 1.0 N C:ASP35 4.0 33.2 1.0 CA C:THR68 4.1 34.4 1.0 CB C:ASP35 4.2 32.8 1.0 CG C:ASP33 4.2 29.3 1.0 CB C:THR68 4.2 35.7 1.0 ND2 C:ASN251 4.3 32.9 1.0 CG C:ASP35 4.4 35.9 1.0 O C:ASP35 4.4 37.4 1.0 OD2 C:ASP33 4.4 21.1 1.0 C C:THR68 4.5 33.5 1.0 CA C:ASP35 4.6 33.0 1.0 N C:PHE34 4.6 32.0 1.0 CA C:GLY69 4.6 34.4 1.0 CB C:PHE34 4.8 31.0 1.0 CE C:LYS225 4.8 35.2 1.0 C C:PHE34 4.9 32.2 1.0 OD1 C:ASN251 4.9 39.1 1.0 CA C:PHE34 5.0 31.6 1.0 O C:CYS67 5.0 32.9 1.0 C C:ASP35 5.0 34.7 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl303 b:30.2 occ:1.00 OG1 D:THR68 2.9 31.5 1.0 CA D:CA302 3.1 37.4 1.0 OD1 D:ASP33 3.3 35.3 1.0 N D:ASP35 3.8 37.8 1.0 CB D:ASP35 3.9 38.9 1.0 N D:GLY69 3.9 30.6 1.0 CB D:THR68 3.9 31.0 1.0 OD1 D:ASP35 4.1 39.4 1.0 NZ D:LYS225 4.1 29.1 1.0 CA D:THR68 4.1 30.8 1.0 O D:ASP35 4.2 35.7 1.0 CA D:ASP35 4.3 37.8 1.0 ND2 D:ASN251 4.3 28.6 1.0 CG D:ASP33 4.4 28.8 1.0 CG D:ASP35 4.5 43.1 1.0 C D:THR68 4.6 30.0 1.0 N D:PHE34 4.6 33.7 1.0 C D:ASP35 4.7 36.4 1.0 OD2 D:ASP33 4.8 26.6 1.0 C D:PHE34 4.8 35.8 1.0 CB D:PHE34 4.9 34.6 1.0 CA D:GLY69 4.9 29.2 1.0 CE D:LYS225 5.0 32.4 1.0 CA D:PHE34 5.0 35.5 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.