Sodium in PDB 3uwv: Crystal Structure of Staphylococcus Aureus Triosephosphate Isomerase Complexed with 2-Phosphoglyceric Acid

All present enzymatic activity of Crystal Structure of Staphylococcus Aureus Triosephosphate Isomerase Complexed with 2-Phosphoglyceric Acid:
5.3.1.1;

The structure of Crystal Structure of Staphylococcus Aureus Triosephosphate Isomerase Complexed with 2-Phosphoglyceric Acid, PDB code: 3uwv was solved by S.Mukherjee, A.Roychowdhury, D.Dutta, A.K.Das, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.07
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.953, 78.953, 175.124, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 22.2

The binding sites of Sodium atom in the Crystal Structure of Staphylococcus Aureus Triosephosphate Isomerase Complexed with 2-Phosphoglyceric Acid (pdb code 3uwv). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Crystal Structure of Staphylococcus Aureus Triosephosphate Isomerase Complexed with 2-Phosphoglyceric Acid, PDB code: 3uwv:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in the Crystal Structure of Staphylococcus Aureus Triosephosphate Isomerase Complexed with 2-Phosphoglyceric Acid


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 Staphylococcus Aureus Triosephosphate Isomerase Complexed with 2-Phosphoglyceric Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Na255 b:22.7 occ:1.00 OD2 B:ASP47 2.3 23.3 1.0 O A:ILE44 2.3 20.5 1.0 CG B:ASP47 3.1 24.2 1.0 CB B:ASP47 3.2 20.6 1.0 N A:ALA48 3.3 19.7 1.0 C A:ILE44 3.5 17.7 1.0 O A:HOH266 3.5 16.6 1.0 CA A:GLN45 3.6 17.6 1.0 C A:GLN45 3.6 17.9 1.0 CB A:ASP47 3.7 19.9 1.0 CB A:ALA48 3.7 20.2 1.0 O A:HOH258 3.7 14.7 1.0 O A:GLN45 3.8 17.3 1.0 CG2 A:VAL16 3.8 20.1 1.0 N A:ASP47 3.9 19.0 1.0 CG1 A:VAL16 3.9 24.6 1.0 N A:GLN45 3.9 17.7 1.0 CA A:ALA48 4.1 20.2 1.0 CA A:ASP47 4.1 19.4 1.0 C A:ASP47 4.2 19.7 1.0 N A:LEU46 4.2 17.4 1.0 OD1 B:ASP47 4.3 24.4 1.0 O A:HOH329 4.4 35.5 1.0 CB A:VAL16 4.5 21.5 1.0 O A:HOH271 4.7 14.6 1.0 CA B:ASP47 4.7 20.4 1.0 CG A:ASP47 4.8 22.5 1.0 CA A:ILE44 4.8 17.7 1.0 C A:LEU46 4.8 18.4 1.0 CB A:GLN45 4.9 17.4 1.0 O A:HOH334 4.9 31.4 1.0 OD2 A:ASP47 4.9 23.7 1.0

Sodium binding site 2 out of 3 in the Crystal Structure of Staphylococcus Aureus Triosephosphate Isomerase Complexed with 2-Phosphoglyceric Acid


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 Staphylococcus Aureus Triosephosphate Isomerase Complexed with 2-Phosphoglyceric Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Na256 b:21.2 occ:1.00 O A:HOH352 2.3 22.3 1.0 O A:MET225 2.3 31.0 1.0 O A:HOH349 2.3 21.8 1.0 O A:HOH350 2.3 22.3 1.0 O A:ILE230 2.3 28.4 1.0 O A:GLN227 2.3 29.7 1.0 C A:ILE230 3.4 27.8 1.0 C A:MET225 3.4 31.5 1.0 C A:GLN227 3.5 30.6 1.0 O A:HOH351 3.7 45.4 1.0 N A:ILE230 4.0 28.2 1.0 N A:GLN227 4.1 31.4 1.0 C A:ALA226 4.1 32.2 1.0 CA A:ILE230 4.1 27.6 1.0 CA A:MET225 4.2 31.0 1.0 O A:THR228 4.2 30.9 1.0 N A:ALA226 4.4 31.7 1.0 C A:THR228 4.4 30.5 1.0 CA A:GLN227 4.4 30.9 1.0 O A:HOH326 4.4 35.5 1.0 N A:ASP231 4.4 27.8 1.0 O A:HOH412 4.4 27.9 1.0 N A:THR228 4.4 31.3 1.0 O A:ALA226 4.5 33.2 1.0 CB A:ILE230 4.5 27.5 1.0 CA A:ALA226 4.5 32.7 1.0 CA A:THR228 4.6 31.4 1.0 CA A:ASP231 4.6 27.8 1.0 O A:HOH386 4.7 30.6 1.0 O A:TYR224 4.7 32.4 1.0 OD1 A:ASP231 4.8 29.7 1.0 CE A:MET225 4.8 29.3 1.0 N A:ASP229 4.9 29.8 1.0

Sodium binding site 3 out of 3 in the Crystal Structure of Staphylococcus Aureus Triosephosphate Isomerase Complexed with 2-Phosphoglyceric Acid


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Crystal Structure of Staphylococcus Aureus Triosephosphate Isomerase Complexed with 2-Phosphoglyceric Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Na254 b:20.3 occ:1.00 O B:HOH269 2.3 22.5 1.0 O B:ALA84 2.3 21.1 1.0 N A:VAL16 3.1 22.5 1.0 C B:ALA84 3.2 20.7 1.0 CA B:ALA84 3.4 20.9 1.0 CB B:ASP87 3.5 24.8 1.0 CB A:THR15 3.6 24.2 1.0 CG B:LEU88 3.6 20.8 1.0 CA A:THR15 3.7 22.8 1.0 CG2 A:VAL16 3.9 20.1 1.0 CB B:ALA84 3.9 20.8 1.0 CB A:VAL16 3.9 21.5 1.0 CD2 B:LEU88 3.9 21.0 1.0 C A:THR15 3.9 22.8 1.0 N B:LEU88 4.0 23.4 1.0 OD2 B:ASP87 4.0 31.3 1.0 CA A:VAL16 4.1 22.0 1.0 CG2 A:THR15 4.1 24.4 1.0 C B:ASP87 4.2 24.4 1.0 CG B:ASP87 4.3 26.9 1.0 CA B:ASP87 4.3 24.8 1.0 CD1 B:LEU88 4.4 20.4 1.0 N B:LEU85 4.5 19.5 1.0 CB B:LEU88 4.6 21.6 1.0 N B:ASP87 4.6 23.6 1.0 O B:VAL83 4.7 22.4 1.0 N B:ALA84 4.7 21.3 1.0 CA B:LEU88 4.7 22.8 1.0 OG1 A:THR15 4.7 22.1 1.0 CD1 A:ILE44 4.9 21.8 1.0 O B:ASP87 4.9 25.3 1.0 N A:GLN17 4.9 23.3 1.0

S.Mukherjee, A.Roychowdhury, D.Dutta, A.K.Das. Crystal Structures of Triosephosphate Isomerase From Methicillin Resistant Staphylococcus Aureus MRSA252 Provide Structural Insights Into Novel Modes of Ligand Binding and Unique Conformations of Catalytic Loop Biochimie V. 94 2532 2012.
ISSN: ISSN 0300-9084
PubMed: 22813930
DOI: 10.1016/J.BIOCHI.2012.07.001