Calcium in PDB 8ian: Crystal Structure of Ctpl-H210S/F214I Mutant

The structure of Crystal Structure of Ctpl-H210S/F214I Mutant, PDB code: 8ian was solved by X.Li, B.L.Shi, Z.Y.Zeng, J.-W.Huang, C.-C.Chen, R.-T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.79 / 2.08
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	115.356, 115.356, 94.713, 90, 90, 120
R / Rfree (%)	20 / 25.4

The binding sites of Calcium atom in the Crystal Structure of Ctpl-H210S/F214I Mutant (pdb code 8ian). 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 Ctpl-H210S/F214I Mutant, PDB code: 8ian:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Ctpl-H210S/F214I 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 Ctpl-H210S/F214I Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:37.6 occ:1.00 O A:HOH490 2.3 33.8 1.0 OD2 A:ASP232 2.4 24.6 1.0 O A:GLY241 2.5 19.2 1.0 OD1 A:ASP232 2.6 23.4 1.0 O A:HOH466 2.7 26.2 1.0 O A:HOH571 2.7 28.1 1.0 CG A:ASP232 2.9 22.5 1.0 C A:GLY241 3.4 19.4 1.0 CA A:GLY241 4.1 19.1 1.0 CB A:ASP232 4.4 21.4 1.0 NE2 A:HIS243 4.4 20.8 1.0 O A:HOH589 4.4 40.9 1.0 N A:GLY242 4.5 20.6 1.0 CA A:CYS236 4.6 18.5 1.0 CD2 A:HIS243 4.6 21.1 1.0 CB A:CYS236 4.7 18.4 1.0 CA A:GLY242 4.8 20.3 1.0 O A:GLY240 4.9 21.5 1.0 O A:HOH424 4.9 35.0 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Ctpl-H210S/F214I 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 Ctpl-H210S/F214I Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:32.2 occ:1.00 O B:HOH516 2.2 28.8 1.0 O B:HOH467 2.2 24.4 1.0 OD1 B:ASP232 2.4 27.5 1.0 O B:GLY241 2.4 33.8 1.0 OD2 B:ASP232 2.5 26.5 1.0 O B:HOH438 2.6 29.7 1.0 CG B:ASP232 2.8 28.9 1.0 C B:GLY241 3.4 32.4 1.0 CA B:GLY241 4.1 35.0 1.0 CA B:CYS236 4.3 25.4 1.0 CB B:ASP232 4.3 26.9 1.0 N B:GLY242 4.3 31.6 1.0 OD1 B:ASP233 4.4 34.7 1.0 CB B:CYS236 4.4 25.5 1.0 CA B:GLY242 4.6 30.8 1.0 CE1 B:HIS243 4.6 24.0 1.0 ND1 B:HIS243 4.8 24.5 1.0 O B:GLY240 4.8 31.4 1.0 CG B:ASP233 4.8 35.4 1.0 OD2 B:ASP233 4.9 47.1 1.0 N B:CYS236 4.9 24.7 1.0 N B:ASP233 5.0 26.1 1.0

X.Li, B.Shi, J.W.Huang, Z.Zeng, Y.Yang, L.Zhang, J.Min, C.C.Chen, R.T.Guo. Functional Tailoring of A Pet Hydrolytic Enzyme Expressed in Pichia Pastoris Bioresour Bioprocess V. 10 26 2023.
ISSN: ESSN 2197-4365
DOI: 10.1186/S40643-023-00648-1