Sodium in PDB 4o50: Crystal Structure of Trichomonas Vaginalis Triosephosphate Isomerase ILE45-Ala Mutant (TVAG_497370)

All present enzymatic activity of Crystal Structure of Trichomonas Vaginalis Triosephosphate Isomerase ILE45-Ala Mutant (TVAG_497370):
5.3.1.1;

The structure of Crystal Structure of Trichomonas Vaginalis Triosephosphate Isomerase ILE45-Ala Mutant (TVAG_497370), PDB code: 4o50 was solved by S.Lara-Gonzalez, C.G.Benitez-Cardoza, L.G.Brieba, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.38 / 1.95
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.887, 56.817, 106.763, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 20.5

The binding sites of Sodium atom in the Crystal Structure of Trichomonas Vaginalis Triosephosphate Isomerase ILE45-Ala Mutant (TVAG_497370) (pdb code 4o50). 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 Trichomonas Vaginalis Triosephosphate Isomerase ILE45-Ala Mutant (TVAG_497370), PDB code: 4o50:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in the Crystal Structure of Trichomonas Vaginalis Triosephosphate Isomerase ILE45-Ala Mutant (TVAG_497370)


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 Trichomonas Vaginalis Triosephosphate Isomerase ILE45-Ala Mutant (TVAG_497370) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na301 b:10.1 occ:1.00 O A:VAL227 2.3 11.3 1.0 O A:CYS224 2.3 13.4 1.0 O A:ALA222 2.3 12.5 1.0 O A:HOH448 2.4 18.5 1.0 OG A:SER251 2.4 15.6 1.0 C A:VAL227 3.4 10.2 1.0 CB A:SER251 3.5 15.8 1.0 C A:CYS224 3.5 13.4 1.0 HB A:VAL227 3.5 18.1 1.0 HB2 A:SER251 3.5 19.0 1.0 C A:ALA222 3.5 13.0 1.0 HA A:SER251 3.6 18.0 1.0 H A:VAL227 3.7 17.2 1.0 HE1 A:PHE4 3.8 14.9 1.0 HA A:PRO225 3.9 16.4 1.0 N A:CYS224 4.0 11.3 1.0 CA A:SER251 4.1 15.0 1.0 C A:ALA223 4.1 13.6 1.0 H A:LYS252 4.1 20.9 1.0 O A:PRO225 4.1 12.6 1.0 N A:VAL227 4.1 14.3 1.0 HA A:ALA222 4.1 16.0 1.0 HA A:ASP228 4.1 14.0 1.0 CA A:VAL227 4.2 14.6 1.0 HA A:ALA223 4.2 18.6 1.0 O A:HOH459 4.2 24.6 1.0 C A:PRO225 4.2 11.3 1.0 O A:HOH436 4.2 17.2 1.0 H A:CYS224 4.2 13.6 1.0 CB A:VAL227 4.2 15.1 1.0 HB3 A:SER251 4.2 19.0 1.0 CA A:PRO225 4.3 13.7 1.0 O A:ALA223 4.3 18.2 1.0 N A:PRO225 4.4 15.1 1.0 CA A:CYS224 4.4 16.7 1.0 HG12 A:VAL227 4.4 16.7 1.0 N A:ALA223 4.4 10.8 1.0 O A:LYS252 4.4 23.6 1.0 CA A:ALA222 4.4 13.3 1.0 CA A:ALA223 4.4 15.5 1.0 HD1 A:PHE4 4.5 15.3 1.0 N A:ASP228 4.5 12.0 1.0 HB2 A:CYS224 4.5 18.5 1.0 N A:LYS252 4.6 17.5 1.0 CE1 A:PHE4 4.6 12.4 1.0 C A:SER251 4.7 19.9 1.0 O A:HOH455 4.8 20.6 1.0 O A:LEU221 4.8 10.6 1.0 CA A:ASP228 4.8 11.7 1.0 N A:ASP226 4.9 15.4 1.0 CG1 A:VAL227 4.9 13.9 1.0 HB1 A:ALA222 4.9 22.0 1.0 CD1 A:PHE4 5.0 12.7 1.0

Sodium binding site 2 out of 3 in the Crystal Structure of Trichomonas Vaginalis Triosephosphate Isomerase ILE45-Ala Mutant (TVAG_497370)


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 Trichomonas Vaginalis Triosephosphate Isomerase ILE45-Ala Mutant (TVAG_497370) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na302 b:17.4 occ:1.00 O A:HOH636 2.2 30.5 1.0 O A:GLY156 2.2 23.4 1.0 O A:HOH637 2.2 36.0 1.0 O A:HOH546 2.3 26.7 1.0 OD2 A:ASP159 2.4 25.1 1.0 O A:HOH613 2.4 39.4 1.0 OD1 A:ASP159 2.4 22.4 1.0 CG A:ASP159 2.7 32.0 1.0 C A:GLY156 3.4 17.8 1.0 HA A:LYS157 3.4 19.8 1.0 HD3 A:LYS157 3.9 18.8 1.0 CA A:LYS157 4.2 16.5 1.0 O A:HOH535 4.2 24.3 1.0 CB A:ASP159 4.3 21.9 1.0 H A:ASP159 4.3 17.1 1.0 N A:LYS157 4.3 17.1 1.0 HA3 A:GLY156 4.3 17.2 1.0 CA A:GLY156 4.4 14.3 1.0 HA2 A:GLY156 4.4 17.2 1.0 HB3 A:ASP159 4.5 26.3 1.0 O A:HOH572 4.6 33.8 1.0 OD2 A:ASP160 4.7 22.2 1.0 HB2 A:ASP159 4.7 26.3 1.0 CD A:LYS157 4.8 15.7 1.0 C A:LYS157 4.9 27.6 1.0 N A:ASP159 5.0 14.2 1.0

Sodium binding site 3 out of 3 in the Crystal Structure of Trichomonas Vaginalis Triosephosphate Isomerase ILE45-Ala Mutant (TVAG_497370)


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 Trichomonas Vaginalis Triosephosphate Isomerase ILE45-Ala Mutant (TVAG_497370) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na303 b:18.0 occ:1.00 O A:GLY136 2.4 19.6 1.0 O A:HOH608 2.4 37.7 1.0 O A:HOH512 2.4 16.7 1.0 O A:HOH442 2.4 24.3 1.0 O A:HOH583 2.5 21.0 1.0 O A:HOH617 2.5 34.4 1.0 C A:GLY136 3.5 20.2 1.0 HD3 A:LYS137 3.7 20.5 1.0 HA3 A:GLY136 3.7 19.8 1.0 HA A:LYS137 4.1 24.7 1.0 CA A:GLY136 4.1 16.5 1.0 HE2 A:LYS137 4.3 35.9 1.0 O A:HOH623 4.3 39.1 1.0 O A:HOH449 4.5 25.8 1.0 HA2 A:GLY136 4.5 19.8 1.0 OE1 A:GLU140 4.5 17.9 1.0 CD A:LYS137 4.6 17.1 1.0 N A:LYS137 4.6 13.7 1.0 OE2 A:GLU140 4.6 25.7 1.0 CA A:LYS137 4.8 20.6 1.0 HZ3 A:LYS137 4.9 37.0 1.0 CE A:LYS137 4.9 29.9 1.0 O A:ALA135 4.9 15.2 1.0 O A:HOH594 5.0 26.6 1.0 HG2 A:LYS137 5.0 19.4 1.0

S.Lara-Gonzalez, C.G.Benitez-Cardoza, L.G.Brieba. Engineering Mutants with Altered Dimer-Monomer Equilibrium Reveal the Existence of Stable Monomeric Triosephosphate Isomerases To Be Published.