Sodium 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:

Chlorine

(Cl)

2 atoms

The binding sites of Sodium 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 Sodium atom.
In total 2 binding sites of Sodium 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 Sodium binding site number: 1; 2;

Sodium 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 Sodium with other atoms in the Na 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:Na302 b:56.5 occ:1.00 O A:HOH489 2.1 69.2 1.0 OD2 A:ASP92 2.2 56.3 1.0 OD1 A:ASP248 2.4 53.2 1.0 O A:ASP94 2.4 52.2 1.0 O A:HOH416 2.5 46.8 1.0 CG A:ASP92 3.2 64.6 1.0 CG A:ASP248 3.3 57.5 1.0 C A:ASP94 3.5 45.6 1.0 OD2 A:ASP248 3.6 63.5 1.0 OD2 A:ASP252 3.8 56.4 1.0 OD1 A:ASP92 3.9 45.3 1.0 O A:HOH401 4.1 53.7 1.0 OG1 A:THR96 4.1 43.6 1.0 CA A:ASP94 4.2 39.7 1.0 CB A:ASP94 4.2 43.9 1.0 CB A:ASP92 4.3 39.6 1.0 N A:ASP94 4.3 37.5 1.0 CB A:SER95 4.5 41.6 1.0 O A:HOH479 4.5 51.1 1.0 O A:HOH480 4.5 72.7 1.0 N A:SER95 4.6 48.6 1.0 OE2 A:GLU101 4.6 66.2 1.0 N A:GLY249 4.6 51.8 1.0 CB A:ASP248 4.7 45.9 1.0 OD1 A:ASN251 4.8 49.0 1.0 CG A:ASP252 4.8 51.8 1.0 O A:HOH481 4.8 67.9 1.0 N A:THR96 4.8 51.9 1.0 C A:SER95 4.8 42.8 1.0 N A:ASP248 4.8 37.8 1.0 CA A:SER95 4.9 53.4 1.0 C A:MET93 5.0 41.6 1.0 CB A:THR96 5.0 48.3 1.0 OD1 A:ASP252 5.0 59.3 1.0

Sodium 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 Sodium with other atoms in the Na 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:Na301 b:54.9 occ:1.00 OD1 B:ASP248 2.3 51.7 1.0 OD2 B:ASP92 2.4 44.3 1.0 O B:ASP94 2.4 38.7 1.0 O B:HOH402 2.4 56.8 1.0 O B:HOH401 2.7 69.0 1.0 CG B:ASP248 3.2 51.3 1.0 CG B:ASP92 3.4 55.3 1.0 C B:ASP94 3.4 38.9 1.0 OD2 B:ASP248 3.4 58.0 1.0 CB B:ASP94 3.8 41.2 1.0 CL B:CL302 4.0 85.1 1.0 CA B:ASP94 4.0 38.8 1.0 OD1 B:ASP92 4.1 48.7 1.0 OG1 B:THR96 4.1 43.4 1.0 OD2 B:ASP252 4.1 57.3 1.0 N B:ASP94 4.2 38.9 1.0 O B:HOH470 4.3 74.8 1.0 CB B:ASP92 4.3 38.6 1.0 CB B:SER95 4.4 47.4 1.0 N B:SER95 4.5 39.9 1.0 OE2 B:GLU101 4.6 51.1 1.0 CB B:ASP248 4.7 46.9 1.0 N B:THR96 4.8 39.8 1.0 C B:SER95 4.8 51.5 1.0 CA B:SER95 4.8 45.5 1.0 C B:MET93 4.9 37.0 1.0 N B:GLY249 4.9 59.0 1.0 OD1 B:ASN251 4.9 64.3 1.0 O B:HOH404 4.9 44.0 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.