Calcium in PDB 5zrq: Crystal Structure of Pet-Degrading Cutinase CUT190 S176A/S226P/R228S Mutant in Zn(2+)-Bound State

The structure of Crystal Structure of Pet-Degrading Cutinase CUT190 S176A/S226P/R228S Mutant in Zn(2+)-Bound State, PDB code: 5zrq was solved by N.Numoto, N.Kamiya, G.J.Bekker, Y.Yamagami, S.Inaba, K.Ishii, S.Uchiyama, F.Kawai, N.Ito, M.Oda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.32 / 1.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.196, 63.243, 78.675, 90.00, 90.00, 90.00
R / Rfree (%)	12.1 / 14.2

The structure of Crystal Structure of Pet-Degrading Cutinase CUT190 S176A/S226P/R228S Mutant in Zn(2+)-Bound State also contains other interesting chemical elements:

Zinc

(Zn)

5 atoms

The binding sites of Calcium atom in the Crystal Structure of Pet-Degrading Cutinase CUT190 S176A/S226P/R228S Mutant in Zn(2+)-Bound State (pdb code 5zrq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of Pet-Degrading Cutinase CUT190 S176A/S226P/R228S Mutant in Zn(2+)-Bound State, PDB code: 5zrq:

Calcium binding site 1 out of 1 in the Crystal Structure of Pet-Degrading Cutinase CUT190 S176A/S226P/R228S Mutant in Zn(2+)-Bound State


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 Pet-Degrading Cutinase CUT190 S176A/S226P/R228S Mutant in Zn(2+)-Bound State within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca406 b:15.4 occ:0.78 O A:SER76 2.3 17.4 1.0 O A:ALA78 2.3 15.2 1.0 O A:PHE81 2.3 9.4 1.0 O A:HOH641 2.4 16.1 1.0 O A:HOH781 2.5 27.4 1.0 O A:HOH650 2.6 16.3 1.0 C A:SER76 3.5 15.8 1.0 C A:PHE81 3.5 8.7 1.0 C A:ALA78 3.5 15.3 1.0 C A:PHE77 3.8 17.5 1.0 OD1 A:ASN133 3.9 10.6 1.0 N A:ALA78 3.9 15.8 1.0 CA A:PHE77 4.1 18.9 1.0 N A:PHE81 4.1 9.8 1.0 O A:PHE77 4.2 18.3 1.0 CA A:GLY82 4.2 8.7 1.0 N A:PHE77 4.2 16.9 1.0 N A:GLY82 4.3 8.4 1.0 CA A:ALA78 4.3 15.1 1.0 O A:HOH847 4.4 39.5 1.0 N A:SER79 4.5 15.8 1.0 CA A:PHE81 4.5 8.8 1.0 CA A:SER76 4.5 13.9 1.0 N A:GLY80 4.5 13.7 1.0 CA A:SER79 4.6 16.4 0.5 CA A:SER79 4.6 16.2 0.5 C A:SER79 4.8 15.2 1.0 C A:GLY82 4.8 9.0 1.0 N A:GLY83 4.9 9.0 1.0

N.Numoto, N.Kamiya, G.J.Bekker, Y.Yamagami, S.Inaba, K.Ishii, S.Uchiyama, F.Kawai, N.Ito, M.Oda. Structural Dynamics of the Pet-Degrading Cutinase-Like Enzyme From Saccharomonospora Viridis AHK190 in Substrate-Bound States Elucidates the CA2+-Driven Catalytic Cycle. Biochemistry V. 57 5289 2018.
ISSN: ISSN 1520-4995
PubMed: 30110540
DOI: 10.1021/ACS.BIOCHEM.8B00624