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Magnesium in PDB 7v3a: Crystal Structure of Apo-Np Exonuclease C409A

Protein crystallography data

The structure of Crystal Structure of Apo-Np Exonuclease C409A, PDB code: 7v3a was solved by Y.Y.Hsiao, K.W.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.79 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 127.324, 59.431, 71.533, 90, 90, 90
R / Rfree (%) 20.3 / 24

Other elements in 7v3a:

The structure of Crystal Structure of Apo-Np Exonuclease C409A also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Apo-Np Exonuclease C409A (pdb code 7v3a). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Apo-Np Exonuclease C409A, PDB code: 7v3a:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 7v3a

Go back to Magnesium Binding Sites List in 7v3a
Magnesium binding site 1 out of 2 in the Crystal Structure of Apo-Np Exonuclease C409A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Apo-Np Exonuclease C409A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg602

b:33.8
occ:1.00
OD1 A:ASP389 2.1 35.3 1.0
O A:HOH757 2.1 32.2 1.0
O A:HOH771 2.1 36.9 1.0
O A:HOH701 2.2 34.6 1.0
O A:HOH804 2.2 32.0 1.0
O A:HOH848 2.2 34.1 1.0
CG A:ASP389 3.1 32.6 1.0
OD2 A:ASP389 3.4 33.7 1.0
O A:GLN462 3.9 31.0 1.0
OD2 A:ASP466 3.9 42.1 1.0
O A:HOH851 4.0 40.8 1.0
O A:ILE390 4.0 26.6 1.0
O A:HOH744 4.1 32.5 1.0
O A:HOH856 4.1 59.2 1.0
CB A:ASP389 4.4 26.5 1.0
OD1 A:ASP466 4.5 40.9 1.0
N A:ILE390 4.5 24.2 1.0
O A:HOH837 4.5 46.3 1.0
CG A:ASP466 4.6 40.9 1.0
CA A:ASP389 4.8 26.0 1.0
O A:HOH709 4.8 33.9 1.0
O A:GLY463 4.9 35.5 1.0
O A:HOH784 5.0 29.9 1.0

Magnesium binding site 2 out of 2 in 7v3a

Go back to Magnesium Binding Sites List in 7v3a
Magnesium binding site 2 out of 2 in the Crystal Structure of Apo-Np Exonuclease C409A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Apo-Np Exonuclease C409A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg602

b:40.1
occ:1.00
OD1 B:ASP389 2.0 38.2 1.0
O B:HOH702 2.0 35.3 1.0
O B:HOH729 2.1 36.4 1.0
O B:HOH736 2.1 38.2 1.0
O B:HOH851 2.2 47.4 1.0
O B:HOH751 2.3 35.7 1.0
CG B:ASP389 3.0 35.0 1.0
OD2 B:ASP389 3.4 36.0 1.0
O B:GLN462 3.8 38.5 1.0
OD2 B:ASP466 3.9 52.2 1.0
O B:ILE390 4.0 33.1 1.0
O B:HOH711 4.2 33.9 1.0
OD1 B:ASP466 4.2 51.4 1.0
O B:HOH852 4.3 37.1 1.0
N B:ILE390 4.3 25.3 1.0
CB B:ASP389 4.3 31.1 1.0
CG B:ASP466 4.5 50.2 1.0
O B:HOH832 4.6 51.6 1.0
CA B:ASP389 4.6 29.1 1.0
O B:HOH756 4.7 33.3 1.0
O B:GLY463 4.8 42.7 1.0
O B:HOH725 5.0 37.8 1.0
C B:ILE390 5.0 30.2 1.0

Reference:

K.W.Huang, J.W.Chen, T.Y.Hua, Y.Y.Chu, T.Y.Chiu, J.Y.Liu, C.I.Tu, K.C.Hsu, Y.T.Kao, J.W.Chu, Y.Y.Hsiao. Targeted Covalent Inhibitors Allosterically Deactivate the Deddhlassa Fever Virus Np Exonuclease From Alternative Distal Site. Jacs Au 2021.
ISSN: ESSN 2691-3704
Page generated: Thu Oct 3 10:20:57 2024

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