Chlorine in PDB 4eze: Crystal Structure of Had Family Hydrolase T0658 From Salmonella Enterica Subsp. Enterica Serovar Typhi (Target Efi-501419)

The structure of Crystal Structure of Had Family Hydrolase T0658 From Salmonella Enterica Subsp. Enterica Serovar Typhi (Target Efi-501419), PDB code: 4eze was solved by Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, K.N.Allen, D.Dunaway-Mariano, S.C.Almo, Enzyme Functioninitiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.62 / 2.27
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	117.634, 117.634, 118.815, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 24.6

The structure of Crystal Structure of Had Family Hydrolase T0658 From Salmonella Enterica Subsp. Enterica Serovar Typhi (Target Efi-501419) also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Had Family Hydrolase T0658 From Salmonella Enterica Subsp. Enterica Serovar Typhi (Target Efi-501419) (pdb code 4eze). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Had Family Hydrolase T0658 From Salmonella Enterica Subsp. Enterica Serovar Typhi (Target Efi-501419), PDB code: 4eze:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Had Family Hydrolase T0658 From Salmonella Enterica Subsp. Enterica Serovar Typhi (Target Efi-501419)


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 Had Family Hydrolase T0658 From Salmonella Enterica Subsp. Enterica Serovar Typhi (Target Efi-501419) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:87.6 occ:1.00 NH2 A:ARG137 3.3 66.1 1.0 NH1 A:ARG137 3.4 50.2 1.0 O A:HOH402 3.4 47.7 1.0 O A:HOH481 3.8 67.9 1.0 O A:HOH480 3.8 72.7 1.0 CZ A:ARG137 3.8 54.4 1.0 O A:HOH456 4.1 69.3 1.0 O A:GLY181 4.3 58.2 1.0 OD2 A:ASP94 4.3 50.5 1.0 CD1 A:PHE134 4.4 46.1 1.0 CG2 A:VAL103 4.6 54.6 1.0 C A:GLY181 4.7 43.1 1.0 CE1 A:PHE134 4.8 53.0 1.0 CB A:VAL103 4.8 60.1 1.0 CA A:GLY182 4.8 47.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Had Family Hydrolase T0658 From Salmonella Enterica Subsp. Enterica Serovar Typhi (Target Efi-501419)


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 Had Family Hydrolase T0658 From Salmonella Enterica Subsp. Enterica Serovar Typhi (Target Efi-501419) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:85.1 occ:1.00 OG B:SER180 3.0 59.5 1.0 O B:HOH465 3.0 60.0 1.0 N B:ASP94 3.1 38.9 1.0 OD1 B:ASP92 3.1 48.7 1.0 O B:HOH404 3.3 44.0 1.0 CB B:ASP94 3.3 41.2 1.0 CG B:ASP94 3.4 48.0 1.0 OD2 B:ASP94 3.4 93.0 1.0 CA B:ASP94 3.8 38.8 1.0 CG B:ASP92 3.8 55.3 1.0 OD2 B:ASP92 3.9 44.3 1.0 NA B:NA301 4.0 54.9 1.0 N B:MET93 4.0 36.2 1.0 CB B:SER180 4.0 49.8 1.0 CB B:MET93 4.1 36.5 1.0 O B:HOH470 4.1 74.8 1.0 C B:MET93 4.1 37.0 1.0 OD1 B:ASP94 4.1 53.6 1.0 N B:GLY181 4.2 47.6 1.0 N B:GLY182 4.2 38.2 1.0 CA B:MET93 4.2 33.3 1.0 O B:ASP94 4.5 38.7 1.0 CA B:SER180 4.6 44.4 1.0 C B:ASP94 4.7 38.9 1.0 CA B:GLY182 4.7 38.1 1.0 CE B:MET93 4.7 43.2 1.0 C B:GLY181 4.8 47.6 1.0 C B:SER180 4.9 47.1 1.0 CG B:MET93 5.0 42.2 1.0 CA B:GLY181 5.0 43.7 1.0 O B:HOH401 5.0 69.0 1.0

Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, K.N.Allen, D.Dunaway-Mariano, J.A.Gerlt, S.C.Almo. Crystal Structure of Had Hydrolase T0658 From Salmonella Enterica (Target Efi-501419) To Be Published.