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Calcium in PDB 8re3: Crystal Structure Determination of Dye-Decolorizing Peroxidase (Dyp) Mutant M190G From Deinoccoccus Radiodurans

Protein crystallography data

The structure of Crystal Structure Determination of Dye-Decolorizing Peroxidase (Dyp) Mutant M190G From Deinoccoccus Radiodurans, PDB code: 8re3 was solved by B.A.Salgueiro, K.Frade, C.Frazao, P.Matias, E.Moe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 74.74 / 1.51
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 82.09, 97.697, 116.037, 90, 90, 90
R / Rfree (%) 16.7 / 19.5

Other elements in 8re3:

The structure of Crystal Structure Determination of Dye-Decolorizing Peroxidase (Dyp) Mutant M190G From Deinoccoccus Radiodurans also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms
Iron (Fe) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure Determination of Dye-Decolorizing Peroxidase (Dyp) Mutant M190G From Deinoccoccus Radiodurans (pdb code 8re3). 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 Determination of Dye-Decolorizing Peroxidase (Dyp) Mutant M190G From Deinoccoccus Radiodurans, PDB code: 8re3:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 8re3

Go back to Calcium Binding Sites List in 8re3
Calcium binding site 1 out of 2 in the Crystal Structure Determination of Dye-Decolorizing Peroxidase (Dyp) Mutant M190G From Deinoccoccus Radiodurans


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure Determination of Dye-Decolorizing Peroxidase (Dyp) Mutant M190G From Deinoccoccus Radiodurans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca505

b:21.4
occ:1.00
O A:HOH851 2.4 25.9 1.0
OD1 A:ASP434 2.4 22.2 1.0
OD2 A:ASP434 2.5 23.4 1.0
CG A:ASP434 2.8 24.5 1.0
CB A:ASP434 4.3 23.2 1.0
O A:HOH623 4.4 19.0 1.0
OG A:SER254 4.5 25.1 1.0
OE2 A:GLU415 4.5 68.4 1.0
O A:HOH768 4.6 26.0 1.0
HB3 A:SER254 4.6 29.5 1.0
HB3 A:ASP434 4.7 28.0 1.0
O A:HOH770 4.7 25.1 1.0
HB2 A:ASP434 4.7 28.0 1.0
HA A:ASP434 5.0 26.1 1.0

Calcium binding site 2 out of 2 in 8re3

Go back to Calcium Binding Sites List in 8re3
Calcium binding site 2 out of 2 in the Crystal Structure Determination of Dye-Decolorizing Peroxidase (Dyp) Mutant M190G From Deinoccoccus Radiodurans


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure Determination of Dye-Decolorizing Peroxidase (Dyp) Mutant M190G From Deinoccoccus Radiodurans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca505

b:17.6
occ:1.00
O B:HOH823 2.3 29.1 1.0
OD1 B:ASP434 2.4 20.3 1.0
O B:HOH860 2.5 22.6 1.0
OD2 B:ASP434 2.5 19.1 1.0
CG B:ASP434 2.8 18.8 1.0
CB B:ASP434 4.3 16.6 1.0
O B:HOH638 4.5 19.4 1.0
O B:HOH659 4.5 20.8 1.0
O B:HOH889 4.5 31.8 1.0
OG B:SER254 4.6 20.9 1.0
HB3 B:SER254 4.6 22.8 1.0
HB3 B:ASP434 4.7 20.1 1.0
HB2 B:ASP434 4.7 20.1 1.0
O B:HOH812 4.8 18.6 1.0
OE2 B:GLU415 4.9 63.5 1.0
HA B:ASP434 4.9 19.7 1.0

Reference:

K.Frade, C.M.Silveira, B.A.Salgueiro, S.Mendes, L.O.Martins, C.Frazao, S.Todorovic, E.Moe. Biochemical, Biophysical, and Structural Analysis of An Unusual Dyp From the Extremophile Deinococcus Radiodurans. Molecules V. 29 2024.
ISSN: ESSN 1420-3049
PubMed: 38257271
DOI: 10.3390/MOLECULES29020358
Page generated: Thu Jul 10 06:53:09 2025

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