Chlorine in PDB 4q14: Crystal Structure of 5-Hydroxyisourate Hydrolase From Brucella Melitensis

The structure of Crystal Structure of 5-Hydroxyisourate Hydrolase From Brucella Melitensis, PDB code: 4q14 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.59 / 1.70
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	83.190, 83.190, 153.110, 90.00, 90.00, 120.00
R / Rfree (%)	15.7 / 17.8

The binding sites of Chlorine atom in the Crystal Structure of 5-Hydroxyisourate Hydrolase From Brucella Melitensis (pdb code 4q14). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of 5-Hydroxyisourate Hydrolase From Brucella Melitensis, PDB code: 4q14:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of 5-Hydroxyisourate Hydrolase From Brucella Melitensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of 5-Hydroxyisourate Hydrolase From Brucella Melitensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl200 b:20.6 occ:1.00 O B:HOH337 3.2 24.1 1.0 N A:PHE84 3.3 16.5 1.0 N A:ALA80 3.3 26.1 1.0 NE1 A:TRP110 3.3 21.2 1.0 O A:HOH400 3.4 49.4 1.0 O A:HOH302 3.4 15.1 1.0 CA A:PRO83 3.8 18.9 1.0 CB A:ALA80 3.9 27.8 1.0 CA A:LEU79 4.0 25.1 1.0 CE2 A:TRP110 4.0 18.6 1.0 C A:PRO83 4.0 17.1 1.0 CZ2 A:TRP110 4.1 25.0 1.0 CB A:PHE84 4.1 15.1 1.0 CB A:LEU79 4.1 23.2 1.0 C A:LEU79 4.2 26.6 1.0 CD2 A:LEU79 4.2 25.3 1.0 CA A:ALA80 4.2 26.6 1.0 CA A:PHE84 4.3 15.5 1.0 O B:HOH379 4.3 31.5 1.0 CD1 A:TRP110 4.4 18.9 1.0 CB A:PRO83 4.5 18.2 1.0 O B:HOH314 4.7 20.5 1.0 CG A:LEU79 4.8 26.9 1.0 O A:GLU82 4.8 22.1 1.0 N A:PRO83 4.9 20.4 1.0 O A:GLU78 5.0 37.3 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of 5-Hydroxyisourate Hydrolase From Brucella Melitensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of 5-Hydroxyisourate Hydrolase From Brucella Melitensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:28.9 occ:1.00 O A:HOH427 3.2 54.9 1.0 OG A:SER5 3.3 22.9 1.0 O A:HOH317 3.4 23.1 1.0 CB A:HIS102 3.4 21.6 1.0 C A:THR6 3.6 12.6 1.0 CA A:THR6 3.7 13.6 1.0 ND1 A:HIS102 3.8 41.2 1.0 O A:SER5 3.8 13.6 1.0 N A:THR6 3.8 13.9 1.0 C A:SER5 3.8 14.7 1.0 O A:THR6 3.8 14.9 1.0 N A:HIS7 3.9 11.3 1.0 CA A:HIS102 3.9 14.6 1.0 CB A:HIS7 3.9 13.8 1.0 N A:VAL103 4.0 13.9 1.0 CG A:HIS102 4.0 29.6 1.0 CB A:SER5 4.1 19.1 1.0 C A:HIS102 4.2 19.0 1.0 NH1 A:ARG46 4.3 19.7 1.0 CD A:PRO104 4.5 14.5 1.0 N A:PRO104 4.5 11.3 1.0 CA A:HIS7 4.5 13.2 1.0 C A:VAL103 4.6 14.7 1.0 CA A:SER5 4.6 13.7 1.0 CA A:PRO104 4.8 11.6 1.0 O A:VAL103 4.9 18.9 1.0 CA A:VAL103 5.0 12.6 1.0 CE1 A:HIS102 5.0 37.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of 5-Hydroxyisourate Hydrolase From Brucella Melitensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of 5-Hydroxyisourate Hydrolase From Brucella Melitensis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:16.1 occ:1.00 O A:HOH328 3.3 18.9 1.0 N B:ALA80 3.3 21.6 1.0 NE1 B:TRP110 3.3 18.5 1.0 N B:PHE84 3.3 13.2 1.0 O B:HOH307 3.4 16.4 1.0 O A:HOH392 3.5 39.0 1.0 CA B:PRO83 3.8 14.7 1.0 CB B:ALA80 3.8 19.2 1.0 CB B:LEU79 4.0 17.9 1.0 CA B:LEU79 4.0 19.3 1.0 C B:PRO83 4.1 14.2 1.0 C B:LEU79 4.1 21.0 1.0 CB B:PHE84 4.1 13.4 1.0 CA B:ALA80 4.1 20.2 1.0 CD1 B:TRP110 4.2 16.0 1.0 CE2 B:TRP110 4.2 15.6 1.0 NH1 A:ARG116 4.2 23.0 1.0 CD2 B:LEU79 4.3 20.7 1.0 CA B:PHE84 4.3 12.4 1.0 CB B:PRO83 4.4 17.2 1.0 CZ2 B:TRP110 4.5 18.3 1.0 CG B:LEU79 4.7 22.1 1.0 O B:GLU82 4.8 19.4 1.0 O B:HOH306 4.9 15.7 1.0 O B:ALA80 4.9 22.1 1.0 N B:PRO83 5.0 15.9 1.0

Seattle Structural Genomics Center For Infectious Disease(Ssgcid), J.Abendroth, D.Lorimer, T.E.Edwards. Crystal Structure of 5-Hydroxyisourate Hydrolase From Brucella Melitensis To Be Published.