Calcium in PDB 7vvc: Crystal Structure of Inactive Mutant of Leaf-Branch Compost Cutinase Variant

All present enzymatic activity of Crystal Structure of Inactive Mutant of Leaf-Branch Compost Cutinase Variant:
3.1.1.101; 3.1.1.74;

The structure of Crystal Structure of Inactive Mutant of Leaf-Branch Compost Cutinase Variant, PDB code: 7vvc was solved by D.Niu, W.Zeng, J.W.Huang, C.C.Chen, W.D.Liu, R.T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.82
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.429, 84.702, 147.39, 90, 90, 90
R / Rfree (%)	15.1 / 19.8

The binding sites of Calcium atom in the Crystal Structure of Inactive Mutant of Leaf-Branch Compost Cutinase Variant (pdb code 7vvc). 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 Inactive Mutant of Leaf-Branch Compost Cutinase Variant, PDB code: 7vvc:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Inactive Mutant of Leaf-Branch Compost Cutinase Variant


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 Inactive Mutant of Leaf-Branch Compost Cutinase Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:16.6 occ:1.00 O A:HOH744 2.5 11.7 1.0 OD1 A:ASP193 2.5 11.8 1.0 O A:THR195 2.5 9.2 1.0 OG1 A:THR195 2.6 8.6 1.0 OD2 A:ASP193 2.6 9.1 1.0 O A:HOH547 2.7 11.5 1.0 CG A:ASP193 2.8 10.0 1.0 C A:THR195 3.5 11.5 1.0 CB A:THR195 3.6 10.3 1.0 CA A:THR195 3.9 10.5 1.0 N A:THR195 4.1 10.3 1.0 O A:HOH642 4.3 28.2 1.0 CB A:ASP193 4.3 10.6 1.0 O A:HOH768 4.5 28.9 1.0 NH1 A:ARG173 4.6 13.5 1.0 N A:PHE196 4.7 11.7 1.0 OE2 A:GLU176 4.8 16.5 1.0 CG2 A:THR195 4.9 9.9 1.0 NH2 A:ARG173 5.0 13.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Inactive Mutant of Leaf-Branch Compost Cutinase Variant


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 Inactive Mutant of Leaf-Branch Compost Cutinase Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:20.0 occ:1.00 O B:HOH741 2.4 19.4 1.0 O B:THR195 2.5 12.2 1.0 OD1 B:ASP193 2.5 12.4 1.0 O B:HOH720 2.5 14.9 1.0 OD2 B:ASP193 2.5 14.3 1.0 OG1 B:THR195 2.5 15.5 1.0 O B:HOH711 2.6 15.8 1.0 O B:HOH570 2.6 14.0 1.0 CG B:ASP193 2.8 13.5 1.0 C B:THR195 3.5 15.7 1.0 CB B:THR195 3.7 16.4 1.0 CA B:THR195 3.9 14.9 1.0 N B:THR195 4.1 14.6 1.0 CB B:ASP193 4.3 13.4 1.0 O B:HOH742 4.4 38.0 1.0 NH1 B:ARG173 4.4 13.4 1.0 O B:HOH684 4.7 28.9 1.0 N B:PHE196 4.7 14.4 1.0 OE1 B:GLU176 4.7 18.0 1.0 CG2 B:THR195 4.9 16.3 1.0

W.Zeng, X.Li, Y.Yang, J.Min, J.-W.Huang, W.Liu, D.Niu, X.Yang, X.Han, L.Zhang, L.Dai, C.-C.Chen, R.-T.Guo. Substrate-Binding Mode of A Thermophilic Pet Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis V. 12 3033 2022.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.1C05800