Calcium in PDB 8wbs: Crystal Structure of Cis-Epoxysuccinate Hydrolases Klcesh[L]-D48N Complexed with Sulfate Ions

The structure of Crystal Structure of Cis-Epoxysuccinate Hydrolases Klcesh[L]-D48N Complexed with Sulfate Ions, PDB code: 8wbs was solved by S.Dong, J.S.Xuan, Y.G.Feng, Q.Cui, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	76.60 / 2.03
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	119.846, 94.426, 99.597, 90, 90, 90
R / Rfree (%)	17.8 / 20.9

The binding sites of Calcium atom in the Crystal Structure of Cis-Epoxysuccinate Hydrolases Klcesh[L]-D48N Complexed with Sulfate Ions (pdb code 8wbs). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Cis-Epoxysuccinate Hydrolases Klcesh[L]-D48N Complexed with Sulfate Ions, PDB code: 8wbs:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Cis-Epoxysuccinate Hydrolases Klcesh[L]-D48N Complexed with Sulfate Ions


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 Cis-Epoxysuccinate Hydrolases Klcesh[L]-D48N Complexed with Sulfate Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:61.1 occ:1.00 O A:HOH490 2.1 40.6 1.0 O B:HOH493 2.3 39.1 1.0 O B:PHE182 2.5 24.7 1.0 O B:HOH500 2.5 48.8 1.0 O A:PHE182 2.5 29.3 1.0 O A:HOH507 2.7 39.5 1.0 O A:HOH473 3.5 50.7 1.0 C B:PHE182 3.6 31.3 1.0 C A:PHE182 3.7 33.7 1.0 O B:HOH488 3.9 49.5 1.0 N B:PHE182 4.3 26.4 1.0 C A:ASP183 4.4 31.3 1.0 O A:ASP183 4.4 31.5 1.0 N A:PHE182 4.4 25.1 1.0 C B:ASP183 4.4 29.0 1.0 CA B:PHE182 4.5 26.7 1.0 CA B:ASP183 4.5 28.8 1.0 CA A:ASP183 4.5 29.9 1.0 N B:ASP183 4.5 24.0 1.0 O B:ASP183 4.5 30.2 1.0 CA A:PHE182 4.6 30.5 1.0 N A:ASP183 4.6 31.5 1.0 CB B:PHE182 4.8 29.3 1.0 N B:ALA184 4.8 25.2 1.0 N A:ALA184 4.8 28.3 1.0 CB A:PHE182 4.8 27.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Cis-Epoxysuccinate Hydrolases Klcesh[L]-D48N Complexed with Sulfate Ions


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 Cis-Epoxysuccinate Hydrolases Klcesh[L]-D48N Complexed with Sulfate Ions within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca303 b:71.0 occ:1.00 O D:HOH418 2.2 59.9 1.0 O D:PHE182 2.5 43.2 1.0 O C:PHE182 2.5 35.9 1.0 C D:PHE182 3.6 44.9 1.0 C C:PHE182 3.7 38.5 1.0 C C:ASP183 4.2 44.1 1.0 O C:ASP183 4.2 40.8 1.0 N D:PHE182 4.3 44.4 1.0 C D:ASP183 4.4 43.6 1.0 CA C:ASP183 4.4 37.2 1.0 CA D:PHE182 4.4 46.7 1.0 N C:PHE182 4.5 37.4 1.0 N C:ASP183 4.5 30.9 1.0 O D:ASP183 4.6 43.4 1.0 N D:ASP183 4.6 38.3 1.0 CA D:ASP183 4.6 41.9 1.0 CA C:PHE182 4.6 37.4 1.0 N D:ALA184 4.6 44.8 1.0 CB D:PHE182 4.7 37.6 1.0 N C:ALA184 4.7 39.3 1.0 CB C:PHE182 5.0 34.8 1.0

S.Dong, J.Xuan, Y.Feng, Q.Cui. Deciphering the Stereo-Specific Catalytic Mechanisms of Cis-Epoxysuccinate Hydrolases Producing L(+)-Tartaric Acid. J.Biol.Chem. 05635 2024.
ISSN: ESSN 1083-351X
PubMed: 38199576
DOI: 10.1016/J.JBC.2024.105635