Magnesium in PDB 6nku: Ternary Complex Crystal Structure of Dna Polymerase Beta with "Hot- Spot Sequence" with Dgtp

All present enzymatic activity of Ternary Complex Crystal Structure of Dna Polymerase Beta with "Hot- Spot Sequence" with Dgtp:
2.7.7.7;

The structure of Ternary Complex Crystal Structure of Dna Polymerase Beta with "Hot- Spot Sequence" with Dgtp, PDB code: 6nku was solved by V.K.Batra, S.H.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.29 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.630, 79.764, 55.378, 90.00, 107.69, 90.00
R / Rfree (%)	17.4 / 21.1

The structure of Ternary Complex Crystal Structure of Dna Polymerase Beta with "Hot- Spot Sequence" with Dgtp also contains other interesting chemical elements:

Chlorine	(Cl)	4 atoms
Sodium	(Na)	3 atoms

The binding sites of Magnesium atom in the Ternary Complex Crystal Structure of Dna Polymerase Beta with "Hot- Spot Sequence" with Dgtp (pdb code 6nku). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Ternary Complex Crystal Structure of Dna Polymerase Beta with "Hot- Spot Sequence" with Dgtp, PDB code: 6nku:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with "Hot- Spot Sequence" with Dgtp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ternary Complex Crystal Structure of Dna Polymerase Beta with "Hot- Spot Sequence" with Dgtp within 5.0Å range: probe atom residue distance (Å) B Occ T:Mg101 b:44.7 occ:1.00 O T:HOH209 1.9 37.8 1.0 O D:HOH210 2.1 45.4 1.0 O T:HOH239 2.2 37.6 1.0 O A:HOH778 2.2 46.0 1.0 N3 T:DA4 4.3 36.6 1.0 O D:HOH207 4.5 36.4 1.0 O4' T:DA5 4.5 39.2 1.0 O A:HOH697 4.5 30.4 1.0 OE1 A:GLU288 4.5 45.2 1.0 O2 D:DC3 4.6 44.5 1.0 C4' T:DA5 4.6 39.2 1.0 C5' T:DA5 4.7 41.6 1.0 C2 T:DA4 4.8 35.2 1.0 O T:HOH210 4.8 38.6 1.0

Magnesium binding site 2 out of 2 in the Ternary Complex Crystal Structure of Dna Polymerase Beta with "Hot- Spot Sequence" with Dgtp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ternary Complex Crystal Structure of Dna Polymerase Beta with "Hot- Spot Sequence" with Dgtp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:19.7 occ:1.00 OD1 A:ASP190 2.0 22.1 1.0 O1G A:DGT407 2.1 18.9 1.0 OD2 A:ASP192 2.1 20.9 1.0 O1B A:DGT407 2.1 18.2 1.0 O A:HOH599 2.2 22.3 1.0 O1A A:DGT407 2.2 19.1 1.0 CG A:ASP190 3.1 25.3 1.0 CG A:ASP192 3.1 20.7 1.0 PB A:DGT407 3.2 19.3 1.0 PG A:DGT407 3.3 23.7 1.0 PA A:DGT407 3.4 20.9 1.0 NA A:NA402 3.5 23.9 1.0 OD1 A:ASP192 3.5 22.2 1.0 OD2 A:ASP190 3.5 27.9 1.0 O3A A:DGT407 3.6 22.4 1.0 O3B A:DGT407 3.7 21.1 1.0 O A:ASP190 3.9 22.9 1.0 O3G A:DGT407 4.1 21.2 1.0 C5' A:DGT407 4.1 22.0 1.0 C A:ASP190 4.2 23.0 1.0 O A:HOH717 4.2 28.0 1.0 O A:HOH648 4.2 21.0 1.0 N A:ASP190 4.2 21.9 1.0 O5' A:DGT407 4.3 24.6 1.0 OG A:SER180 4.3 24.5 1.0 CB A:ASP190 4.3 19.6 1.0 N A:SER180 4.4 22.1 1.0 CB A:ASP192 4.4 20.4 1.0 O2G A:DGT407 4.5 25.4 1.0 O2B A:DGT407 4.5 20.8 1.0 CA A:ASP190 4.5 20.7 1.0 CA A:GLY179 4.5 18.6 1.0 O2A A:DGT407 4.5 19.4 1.0 N A:MET191 4.7 19.1 1.0 N A:ASP192 4.8 21.8 1.0 C A:MET191 5.0 19.9 1.0

V.K.Batra, S.H.Wilson. Ternary Complex Crystal Structure of Dna Polymerase Beta with "Hot-Spot Sequence" with Dgtp To Be Published.