Calcium in PDB 3hkr: Crystal Structure of Glutathione Transferase Pi Y108V Mutant

All present enzymatic activity of Crystal Structure of Glutathione Transferase Pi Y108V Mutant:
2.5.1.18;

The structure of Crystal Structure of Glutathione Transferase Pi Y108V Mutant, PDB code: 3hkr was solved by L.J.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.11 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	77.100, 90.300, 68.900, 90.00, 98.20, 90.00
R / Rfree (%)	17 / 21

The binding sites of Calcium atom in the Crystal Structure of Glutathione Transferase Pi Y108V Mutant (pdb code 3hkr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Crystal Structure of Glutathione Transferase Pi Y108V Mutant, PDB code: 3hkr:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the Crystal Structure of Glutathione Transferase Pi Y108V Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Glutathione Transferase Pi Y108V Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca210 b:19.8 occ:0.80 O A:HOH217 2.3 16.0 1.0 O A:HOH353 2.4 30.5 1.0 OE1 A:GLN147 2.4 24.7 1.0 O A:GLY77 2.4 13.3 1.0 O A:HOH337 2.5 28.1 1.0 O A:HOH355 2.5 32.4 1.0 O A:HOH287 2.6 17.7 1.0 O A:HOH477 3.5 33.4 1.0 C A:GLY77 3.6 13.4 1.0 CD A:GLN147 3.6 20.5 1.0 CB A:GLN147 4.2 16.2 1.0 CA A:GLY77 4.5 13.3 1.0 O A:HOH243 4.5 30.9 1.0 O A:HOH334 4.5 31.3 1.0 CG A:GLN147 4.5 18.4 1.0 O A:HOH227 4.6 15.3 1.0 N A:LEU78 4.6 12.0 1.0 NE2 A:GLN147 4.6 23.6 1.0 O A:HOH286 4.6 16.6 1.0 CD2 A:LEU78 4.6 11.6 1.0 O A:ILE148 4.7 12.3 1.0 CA A:LEU78 4.7 11.5 1.0 O A:LEU76 4.9 13.9 1.0 O A:HOH352 5.0 28.4 1.0

Calcium binding site 2 out of 5 in the Crystal Structure of Glutathione Transferase Pi Y108V Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Glutathione Transferase Pi Y108V Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca212 b:30.3 occ:0.70 O B:HOH319 2.4 29.6 1.0 OD1 A:ASP98 2.4 19.8 1.0 OD2 A:ASP98 2.6 19.4 1.0 CG A:ASP98 2.8 16.7 1.0 OE1 B:GLN64 2.9 21.0 1.0 O A:HOH454 3.2 33.1 1.0 O B:HOH455 3.5 32.5 1.0 CD B:GLN64 3.8 18.6 1.0 O B:HOH343 4.0 17.9 1.0 NE2 B:GLN64 4.0 20.2 1.0 O2 B:CO3214 4.0 22.9 1.0 CB A:ASP98 4.3 13.8 1.0 OE2 B:GLU97 4.4 15.8 1.0 O A:ASP94 4.5 10.8 1.0 C B:CO3214 4.6 21.8 1.0 O3 B:CO3214 4.7 24.9 1.0

Calcium binding site 3 out of 5 in the Crystal Structure of Glutathione Transferase Pi Y108V Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Glutathione Transferase Pi Y108V Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca214 b:26.7 occ:0.70 O A:HOH329 2.4 27.8 1.0 OD1 A:ASP171 2.5 29.1 1.0 OD2 A:ASP171 3.1 29.2 1.0 CG A:ASP171 3.2 25.8 1.0 O A:HOH479 4.6 39.9 1.0 CB A:ASP171 4.6 21.6 1.0 CA A:GLY168 4.6 24.3 1.0

Calcium binding site 4 out of 5 in the Crystal Structure of Glutathione Transferase Pi Y108V Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Glutathione Transferase Pi Y108V Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca210 b:17.8 occ:1.00 O B:HOH375 2.3 23.5 1.0 O B:HOH374 2.4 13.7 1.0 O B:GLY77 2.4 12.4 1.0 O B:HOH284 2.4 21.6 1.0 OE1 B:GLN147 2.5 19.8 1.0 O B:HOH328 2.6 22.6 1.0 O B:HOH246 2.6 18.3 1.0 C B:GLY77 3.6 12.7 1.0 CD B:GLN147 3.7 18.0 1.0 CB B:GLN147 4.3 14.8 1.0 CA B:GLY77 4.4 13.3 1.0 CD2 B:LEU78 4.5 14.4 1.0 O B:HOH329 4.5 23.6 1.0 O B:HOH471 4.5 34.9 1.0 O B:HOH286 4.6 26.9 1.0 O B:HOH283 4.6 22.0 1.0 CG B:GLN147 4.6 16.6 1.0 N B:LEU78 4.6 12.2 1.0 O B:HOH285 4.6 14.1 1.0 NE2 B:GLN147 4.6 21.2 1.0 O B:HOH260 4.7 15.9 1.0 CA B:LEU78 4.8 11.3 1.0 O B:ILE148 4.8 12.2 1.0 O B:LEU76 4.8 16.0 1.0

Calcium binding site 5 out of 5 in the Crystal Structure of Glutathione Transferase Pi Y108V Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of Glutathione Transferase Pi Y108V Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca213 b:25.7 occ:0.70 O A:HOH481 2.2 36.5 1.0 O A:HOH482 2.3 29.3 1.0 OD1 B:ASP98 2.4 17.9 1.0 OD2 B:ASP98 2.5 17.9 1.0 CG B:ASP98 2.8 14.3 1.0 O B:HOH453 2.8 33.1 1.0 OE1 A:GLN64 2.9 19.0 1.0 CD A:GLN64 3.8 18.0 1.0 O2 A:CO3213 3.9 22.3 1.0 NE2 A:GLN64 4.0 21.6 1.0 O A:HOH304 4.0 17.4 1.0 OE2 A:GLU97 4.3 18.2 1.0 CB B:ASP98 4.3 12.1 1.0 C A:CO3213 4.5 21.6 1.0 O B:ASP94 4.5 10.2 1.0 O3 A:CO3213 4.6 24.9 1.0 O B:HOH399 5.0 40.9 1.0

I.Quesada-Soriano, L.J.Parker, A.Primavera, J.M.Casas-Solvas, A.Vargas-Berenguel, C.Baron, C.J.Morton, A.P.Mazzetti, M.Lo Bello, M.W.Parker, L.Garcia-Fuentes. Influence of the H-Site Residue 108 on Human Glutathione Transferase P1-1 Ligand Binding: Structure-Thermodynamic Relationships and Thermal Stability. Protein Sci. V. 18 2454 2009.
ISSN: ISSN 0961-8368
PubMed: 19780048
DOI: 10.1002/PRO.253