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Sodium in PDB 5v53: Crystal Structure of the D141A/Q233E/N240D Variant of Catalase- Peroxidase From B. Pseudomallei with Acetate Bound

Enzymatic activity of Crystal Structure of the D141A/Q233E/N240D Variant of Catalase- Peroxidase From B. Pseudomallei with Acetate Bound

All present enzymatic activity of Crystal Structure of the D141A/Q233E/N240D Variant of Catalase- Peroxidase From B. Pseudomallei with Acetate Bound:
1.11.1.21;

Protein crystallography data

The structure of Crystal Structure of the D141A/Q233E/N240D Variant of Catalase- Peroxidase From B. Pseudomallei with Acetate Bound, PDB code: 5v53 was solved by P.C.Loewen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.23 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 100.842, 115.825, 174.775, 90.00, 90.00, 90.00
R / Rfree (%) 14.2 / 17.2

Other elements in 5v53:

The structure of Crystal Structure of the D141A/Q233E/N240D Variant of Catalase- Peroxidase From B. Pseudomallei with Acetate Bound also contains other interesting chemical elements:

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

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of the D141A/Q233E/N240D Variant of Catalase- Peroxidase From B. Pseudomallei with Acetate Bound (pdb code 5v53). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of the D141A/Q233E/N240D Variant of Catalase- Peroxidase From B. Pseudomallei with Acetate Bound, PDB code: 5v53:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 5v53

Go back to Sodium Binding Sites List in 5v53
Sodium binding site 1 out of 2 in the Crystal Structure of the D141A/Q233E/N240D Variant of Catalase- Peroxidase From B. Pseudomallei with Acetate Bound


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of the D141A/Q233E/N240D Variant of Catalase- Peroxidase From B. Pseudomallei with Acetate Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na802

b:20.1
occ:1.00
 O A:GLY124 2.3 17.5 1.0
O A:HOH1457 2.3 25.2 1.0
O A:GLY122 2.4 18.2 1.0
O A:HOH1023 2.4 22.1 1.0
O A:SER494 2.4 19.2 1.0
C A:SER494 3.3 18.3 1.0
C A:GLY124 3.5 19.7 1.0
C A:GLY122 3.5 16.8 1.0
N A:GLY124 3.5 18.4 1.0
CA A:ARG123 3.6 18.6 1.0
C A:ARG123 3.6 17.5 1.0
O A:HOH1499 3.9 23.0 1.0
CA A:SER494 4.0 17.8 1.0
OD2 A:ASP427 4.0 21.5 1.0
N A:ARG123 4.0 17.4 1.0
O A:HOH1092 4.1 34.7 1.0
CB A:ASP427 4.1 20.0 1.0
CA A:GLY124 4.1 18.5 1.0
N A:ASP495 4.2 18.1 1.0
O A:ARG123 4.2 17.6 1.0
CB A:SER494 4.2 18.8 1.0
CA A:ASP495 4.4 19.0 1.0
N A:GLY125 4.6 18.3 1.0
CG A:ASP427 4.6 22.9 1.0
CD1 A:TYR117 4.6 18.6 1.0
CB A:ASP495 4.6 18.4 1.0
CL A:CL803 4.7 44.4 1.0
OE2 A:GLU128 4.7 36.2 1.0
CA A:GLY122 4.8 18.3 1.0
CB A:ARG123 4.9 21.7 1.0
CA A:GLY125 4.9 17.4 1.0
CE1 A:TYR117 4.9 17.9 1.0
O A:HOH908 5.0 47.4 1.0

Sodium binding site 2 out of 2 in 5v53

Go back to Sodium Binding Sites List in 5v53
Sodium binding site 2 out of 2 in the Crystal Structure of the D141A/Q233E/N240D Variant of Catalase- Peroxidase From B. Pseudomallei with Acetate Bound


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of the D141A/Q233E/N240D Variant of Catalase- Peroxidase From B. Pseudomallei with Acetate Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na802

b:20.2
occ:1.00
 O B:HOH1003 2.3 24.8 1.0
O B:GLY122 2.4 16.1 1.0
O B:GLY124 2.4 17.6 1.0
O B:HOH1013 2.4 25.3 1.0
O B:SER494 2.4 18.9 1.0
C B:SER494 3.2 19.7 1.0
C B:GLY122 3.5 16.9 1.0
C B:GLY124 3.5 19.9 1.0
C B:ARG123 3.6 17.3 1.0
N B:GLY124 3.6 19.0 1.0
CA B:ARG123 3.6 17.1 1.0
O B:HOH1346 3.9 22.0 1.0
CA B:SER494 4.0 19.2 1.0
O B:HOH1010 4.0 32.8 1.0
N B:ARG123 4.1 15.9 1.0
N B:ASP495 4.1 17.1 1.0
CB B:SER494 4.1 19.4 1.0
OD2 B:ASP427 4.1 21.9 1.0
CA B:GLY124 4.2 18.4 1.0
O B:ARG123 4.2 17.6 1.0
CB B:ASP427 4.2 21.7 1.0
CA B:ASP495 4.4 17.6 1.0
CB B:ASP495 4.6 17.9 1.0
OE2 B:GLU128 4.6 35.3 1.0
CD1 B:TYR117 4.6 18.3 1.0
OE2 B:GLU198 4.6 22.8 0.5
CL B:CL803 4.6 28.3 0.5
N B:GLY125 4.7 17.6 1.0
CG B:ASP427 4.8 20.7 1.0
CA B:GLY122 4.8 17.0 1.0
CE1 B:TYR117 4.9 17.9 1.0
CA B:GLY125 4.9 18.7 1.0
CB B:ARG123 4.9 18.0 1.0
OG B:SER494 5.0 19.0 1.0

Reference:

M.Machuqueiro, B.Victor, J.Switala, J.Villanueva, C.Rovira, I.Fita, P.C.Loewen. The Catalase Activity of Catalase-Peroxidases Is Modulated By Changes in the Pka of the Distal Histidine. Biochemistry V. 56 2271 2017.
ISSN: ISSN 1520-4995
PubMed: 28409923
DOI: 10.1021/ACS.BIOCHEM.6B01276
Page generated: Tue Dec 15 11:44:17 2020

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