Calcium in PDB 3pgv: Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase (KPN_04322) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.39 A Resolution

The structure of Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase (KPN_04322) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.39 A Resolution, PDB code: 3pgv was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.78 / 2.39
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	118.569, 61.961, 169.407, 90.00, 94.19, 90.00
R / Rfree (%)	16.7 / 21.1

The binding sites of Calcium atom in the Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase (KPN_04322) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.39 A Resolution (pdb code 3pgv). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase (KPN_04322) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.39 A Resolution, PDB code: 3pgv:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase (KPN_04322) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.39 A 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 A Haloacid Dehalogenase-Like Hydrolase (KPN_04322) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.39 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca267 b:37.9 occ:1.00 OD2 A:ASP8 2.2 43.7 1.0 OD1 A:ASP214 2.2 41.2 1.0 O A:ASP10 2.4 32.8 1.0 O1S A:EPE268 2.4 49.7 1.0 O A:HOH645 2.6 43.8 1.0 O1 A:GOL272 2.6 39.9 1.0 O2 A:GOL272 2.8 42.8 1.0 CG A:ASP8 3.2 39.8 1.0 CG A:ASP214 3.3 37.1 1.0 C2 A:GOL272 3.4 42.0 1.0 OD1 A:ASP8 3.5 38.3 1.0 C1 A:GOL272 3.5 41.8 1.0 C A:ASP10 3.6 35.3 1.0 S A:EPE268 3.6 48.1 1.0 OD2 A:ASP214 3.6 38.0 1.0 O3S A:EPE268 3.8 50.9 1.0 OD2 A:ASP218 4.0 37.6 1.0 O2S A:EPE268 4.1 50.4 1.0 OG1 A:THR12 4.3 33.8 1.0 CA A:ASP10 4.4 30.2 1.0 CB A:ASP10 4.4 30.6 1.0 CB A:ASP8 4.5 30.9 1.0 N A:GLY11 4.5 34.2 1.0 N A:GLY215 4.6 24.1 1.0 N A:ASP10 4.6 30.9 1.0 CB A:ASP214 4.6 26.8 1.0 N A:ASP214 4.7 27.0 1.0 CA A:GLY11 4.7 33.4 1.0 O A:HOH298 4.9 30.6 1.0 C3 A:GOL272 4.9 42.3 1.0 C A:ASP214 4.9 27.8 1.0 CA A:ASP214 5.0 25.6 1.0 NZ A:LYS191 5.0 30.4 1.0 C A:GLY11 5.0 34.9 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase (KPN_04322) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.39 A 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 A Haloacid Dehalogenase-Like Hydrolase (KPN_04322) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.39 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca267 b:41.1 occ:1.00 OD2 B:ASP8 2.2 45.9 1.0 O B:ASP10 2.3 27.5 1.0 O1S B:EPE269 2.3 56.9 1.0 OD1 B:ASP214 2.4 28.6 1.0 O2 B:GOL273 2.4 49.5 1.0 O B:HOH648 2.6 39.0 1.0 O3 B:GOL273 2.8 47.0 1.0 CG B:ASP8 3.2 32.6 1.0 C2 B:GOL273 3.3 48.3 1.0 CG B:ASP214 3.4 28.3 1.0 OD1 B:ASP8 3.4 28.5 1.0 C3 B:GOL273 3.4 48.1 1.0 C B:ASP10 3.4 28.1 1.0 S B:EPE269 3.6 55.3 1.0 OD2 B:ASP214 3.7 35.7 1.0 O3S B:EPE269 4.1 57.9 1.0 OD2 B:ASP218 4.1 38.1 1.0 O2S B:EPE269 4.2 58.1 1.0 CA B:ASP10 4.2 24.9 1.0 CB B:ASP10 4.3 26.7 1.0 OG1 B:THR12 4.3 24.5 1.0 O B:HOH629 4.4 29.9 1.0 N B:GLY11 4.4 24.8 1.0 N B:ASP10 4.5 25.3 1.0 CB B:ASP8 4.6 23.1 1.0 CA B:GLY11 4.6 24.9 1.0 C1 B:GOL273 4.7 48.5 1.0 N B:GLY215 4.7 25.4 1.0 CB B:ASP214 4.7 24.0 1.0 N B:ASP214 4.8 24.4 1.0 NZ B:LYS191 5.0 29.1 1.0 C B:GLY11 5.0 31.2 1.0 C10 B:EPE269 5.0 57.2 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase (KPN_04322) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.39 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase (KPN_04322) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.39 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca267 b:46.6 occ:1.00 OD2 C:ASP8 2.1 44.7 1.0 OD1 C:ASP214 2.3 46.4 1.0 O1S C:EPE270 2.3 51.5 1.0 O C:ASP10 2.4 33.5 1.0 O2 C:GOL274 2.6 51.6 1.0 O C:HOH644 2.7 43.2 1.0 O1 C:GOL274 2.8 49.5 1.0 CG C:ASP8 3.1 35.8 1.0 CG C:ASP214 3.4 45.2 1.0 OD1 C:ASP8 3.4 34.8 1.0 S C:EPE270 3.5 49.9 1.0 C1 C:GOL274 3.6 51.8 1.0 C C:ASP10 3.6 33.8 1.0 C2 C:GOL274 3.6 51.9 1.0 OD2 C:ASP214 3.7 52.7 1.0 O3S C:EPE270 3.9 52.4 1.0 OD2 C:ASP218 4.0 40.5 1.0 O2S C:EPE270 4.1 52.9 1.0 OG1 C:THR12 4.3 29.6 1.0 CA C:ASP10 4.4 29.7 1.0 CB C:ASP10 4.4 32.4 1.0 CB C:ASP8 4.5 27.4 1.0 N C:ASP10 4.5 29.7 1.0 N C:GLY11 4.6 30.7 1.0 N C:GLY215 4.6 33.2 1.0 O C:HOH506 4.6 28.3 1.0 CB C:ASP214 4.7 34.9 1.0 N C:ASP214 4.7 32.7 1.0 CA C:GLY11 4.7 29.4 1.0 C3 C:GOL274 4.8 52.7 1.0 NZ C:LYS191 4.9 28.0 1.0 C C:ASP214 5.0 38.6 1.0 CG C:ASP218 5.0 36.3 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase (KPN_04322) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.39 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase (KPN_04322) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 at 2.39 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca267 b:36.1 occ:1.00 O1S D:EPE271 2.2 50.4 1.0 OD2 D:ASP8 2.3 34.8 1.0 O D:ASP10 2.4 30.1 1.0 O D:HOH463 2.4 44.2 1.0 OD1 D:ASP214 2.4 32.0 1.0 O2 D:GOL275 2.5 37.6 1.0 O3 D:GOL275 2.7 34.5 1.0 CG D:ASP8 3.2 35.5 1.0 C3 D:GOL275 3.3 36.0 1.0 C2 D:GOL275 3.3 36.2 1.0 CG D:ASP214 3.4 31.6 1.0 OD1 D:ASP8 3.4 39.6 1.0 S D:EPE271 3.5 48.9 1.0 C D:ASP10 3.5 31.2 1.0 O3S D:EPE271 3.7 51.6 1.0 OD2 D:ASP214 3.7 32.8 1.0 OD2 D:ASP218 4.1 29.9 1.0 O2S D:EPE271 4.2 51.3 1.0 CA D:ASP10 4.3 27.6 1.0 CB D:ASP10 4.3 29.6 1.0 OG1 D:THR12 4.4 34.1 1.0 N D:GLY11 4.5 29.4 1.0 N D:ASP10 4.5 28.5 1.0 O D:HOH364 4.6 30.4 1.0 CB D:ASP8 4.6 26.9 1.0 CA D:GLY11 4.7 28.8 1.0 N D:GLY215 4.7 25.6 1.0 C1 D:GOL275 4.7 36.4 1.0 CB D:ASP214 4.8 27.7 1.0 N D:ASP214 4.9 26.8 1.0 C10 D:EPE271 4.9 51.9 1.0 NZ D:LYS191 4.9 32.9 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.