Calcium in PDB 8wbt: Crystal Structure of Cis-Epoxysuccinate Hydrolases Klcesh[L] Mutant D48N Complexed with L-Ta

The structure of Crystal Structure of Cis-Epoxysuccinate Hydrolases Klcesh[L] Mutant D48N Complexed with L-Ta, PDB code: 8wbt 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)	30.29 / 2.05
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	119.62, 93.15, 101.64, 90, 90, 90
R / Rfree (%)	16.8 / 20.7

The binding sites of Calcium atom in the Crystal Structure of Cis-Epoxysuccinate Hydrolases Klcesh[L] Mutant D48N Complexed with L-Ta (pdb code 8wbt). 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] Mutant D48N Complexed with L-Ta, PDB code: 8wbt:
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] Mutant D48N Complexed with L-Ta


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] Mutant D48N Complexed with L-Ta within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:43.0 occ:1.00 O A:HOH498 2.4 21.5 1.0 O A:PHE182 2.5 19.7 1.0 O B:PHE182 2.5 16.7 1.0 O B:HOH480 2.5 22.5 1.0 O A:HOH559 2.6 24.4 1.0 O A:HOH482 3.6 31.9 1.0 C A:PHE182 3.6 17.6 1.0 C B:PHE182 3.6 19.3 1.0 O B:HOH457 3.8 33.1 1.0 N A:PHE182 4.2 18.4 1.0 N B:PHE182 4.2 19.2 1.0 CA A:PHE182 4.4 19.3 1.0 C B:ASP183 4.4 17.4 1.0 CA B:PHE182 4.4 19.2 1.0 O B:ASP183 4.4 23.2 1.0 C A:ASP183 4.5 19.4 1.0 O A:ASP183 4.5 20.5 1.0 CA B:ASP183 4.5 20.2 1.0 N B:ASP183 4.5 20.0 1.0 CA A:ASP183 4.6 19.2 1.0 N A:ASP183 4.6 15.8 1.0 CB A:PHE182 4.7 16.2 1.0 CB B:PHE182 4.7 17.3 1.0 N B:ALA184 4.9 20.1 1.0 N A:ALA184 4.9 15.5 1.0

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


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] Mutant D48N Complexed with L-Ta within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca302 b:61.3 occ:1.00 O C:HOH471 2.3 29.9 1.0 O D:HOH428 2.3 30.5 1.0 O D:PHE182 2.4 28.1 1.0 O C:PHE182 2.5 26.8 1.0 O D:HOH442 2.6 31.6 1.0 O D:HOH444 2.8 33.8 1.0 C D:PHE182 3.5 31.7 1.0 C C:PHE182 3.6 28.5 1.0 O D:HOH412 3.6 42.4 1.0 O C:HOH436 3.9 42.2 1.0 N D:PHE182 4.1 26.9 1.0 N C:PHE182 4.2 25.6 1.0 CA D:PHE182 4.3 28.8 1.0 C C:ASP183 4.4 27.9 1.0 C D:ASP183 4.4 32.4 1.0 CA C:PHE182 4.4 26.6 1.0 O C:ASP183 4.5 28.4 1.0 O D:ASP183 4.5 33.3 1.0 N D:ASP183 4.5 27.4 1.0 CA C:ASP183 4.5 27.2 1.0 CA D:ASP183 4.5 26.0 1.0 N C:ASP183 4.5 25.6 1.0 CB D:PHE182 4.6 31.2 1.0 CB C:PHE182 4.7 28.3 1.0 N C:ALA184 4.8 26.0 1.0 N D:ALA184 4.9 25.0 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