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Calcium in PDB 7ceh: Crystal Structure of Pet-Degrading Cutinase CUT190 S176A/S226P/R228S/ Mutant with the C-Terminal Three Residues Deletion in Ligand Ejecting Form

Enzymatic activity of Crystal Structure of Pet-Degrading Cutinase CUT190 S176A/S226P/R228S/ Mutant with the C-Terminal Three Residues Deletion in Ligand Ejecting Form

All present enzymatic activity of Crystal Structure of Pet-Degrading Cutinase CUT190 S176A/S226P/R228S/ Mutant with the C-Terminal Three Residues Deletion in Ligand Ejecting Form:
3.1.1.74;

Protein crystallography data

The structure of Crystal Structure of Pet-Degrading Cutinase CUT190 S176A/S226P/R228S/ Mutant with the C-Terminal Three Residues Deletion in Ligand Ejecting Form, PDB code: 7ceh was solved by A.Senga, N.Numoto, N.Ito, F.Kawai, M.Oda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.60 / 1.09
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.420, 49.101, 122.950, 90.00, 90.00, 90.00
R / Rfree (%) 13.1 / 15.3

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Pet-Degrading Cutinase CUT190 S176A/S226P/R228S/ Mutant with the C-Terminal Three Residues Deletion in Ligand Ejecting Form (pdb code 7ceh). 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 Pet-Degrading Cutinase CUT190 S176A/S226P/R228S/ Mutant with the C-Terminal Three Residues Deletion in Ligand Ejecting Form, PDB code: 7ceh:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 7ceh

Go back to Calcium Binding Sites List in 7ceh
Calcium binding site 1 out of 2 in the Crystal Structure of Pet-Degrading Cutinase CUT190 S176A/S226P/R228S/ Mutant with the C-Terminal Three Residues Deletion in Ligand Ejecting Form


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 with the C-Terminal Three Residues Deletion in Ligand Ejecting Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca401

b:8.7
occ:1.00
 O A:HOH723 2.4 18.6 1.0
O A:THR206 2.4 9.4 1.0
OD1 A:ASP204 2.4 10.0 1.0
O A:HOH742 2.4 13.7 1.0
O A:HOH719 2.5 14.4 1.0
OD2 A:ASP204 2.5 10.7 1.0
O A:HOH624 2.5 10.4 1.0
OG1 A:THR206 2.5 9.3 1.0
CG A:ASP204 2.8 9.3 1.0
C A:THR206 3.4 8.6 1.0
CB A:THR206 3.7 9.2 1.0
CA A:THR206 3.9 8.4 1.0
N A:THR206 4.0 8.8 1.0
CB A:ASP204 4.3 9.8 1.0
NE2 A:GLN209 4.4 15.3 0.5
OE1 A:GLN209 4.4 13.4 0.5
O A:HOH721 4.5 38.0 1.0
O A:HOH759 4.5 38.7 1.0
O A:HOH765 4.6 19.6 1.0
N A:TRP207 4.6 8.5 1.0
O A:HOH527 4.8 14.2 1.0
CD A:GLN209 4.9 13.5 0.5
CG2 A:THR206 4.9 11.1 1.0
CE2 A:TRP207 5.0 9.2 1.0

Calcium binding site 2 out of 2 in 7ceh

Go back to Calcium Binding Sites List in 7ceh
Calcium binding site 2 out of 2 in the Crystal Structure of Pet-Degrading Cutinase CUT190 S176A/S226P/R228S/ Mutant with the C-Terminal Three Residues Deletion in Ligand Ejecting Form


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 Pet-Degrading Cutinase CUT190 S176A/S226P/R228S/ Mutant with the C-Terminal Three Residues Deletion in Ligand Ejecting Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca402

b:12.1
occ:1.00
 OD1 A:ASP250 2.3 14.5 1.0
OE1 A:GLU296 2.4 14.4 1.0
O A:HOH734 2.4 19.9 1.0
OE1 A:GLU220 2.4 13.6 1.0
OE2 A:GLU220 2.5 13.6 1.0
CD A:GLU220 2.8 12.2 1.0
CD A:GLU296 3.4 13.9 1.0
CG A:ASP250 3.5 14.2 1.0
CG A:GLU296 4.2 11.0 1.0
OE2 A:GLU296 4.2 17.1 1.0
N A:GLY251 4.2 9.5 1.0
O A:HOH727 4.2 34.6 1.0
O A:HOH811 4.3 39.5 1.0
O A:HOH749 4.3 34.5 1.0
CG A:GLU220 4.3 11.5 1.0
OD2 A:ASP250 4.3 19.1 1.0
CB A:GLU296 4.4 10.2 1.0
CA A:ASP250 4.5 9.2 1.0
O A:HOH664 4.5 28.5 1.0
CB A:ASP250 4.5 10.8 1.0
O A:HOH750 4.5 34.6 1.0
O A:HOH544 4.5 20.2 1.0
C A:ASP250 4.8 9.1 1.0
O A:HOH807 4.9 40.2 1.0
O A:HOH831 5.0 42.1 1.0

Reference:

A.Senga, N.Numoto, M.Yamashita, A.Iida, N.Ito, F.Kawai, M.Oda. Multiple Structural States of CA2+ Regulated Pet Hydrolase, CUT190, and Its Correlation with Activity and Stability. J.Biochem. 2020.
ISSN: ISSN 0021-924X
PubMed: 32882044
DOI: 10.1093/JB/MVAA102
Page generated: Thu Jul 18 23:40:55 2024

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