Magnesium in PDB 4x0q: Ternary Complex of Human Dna Polymerase Theta C-Terminal Domain Binding Ddgtp Opposite Dcmp

All present enzymatic activity of Ternary Complex of Human Dna Polymerase Theta C-Terminal Domain Binding Ddgtp Opposite Dcmp:
2.7.7.7;

The structure of Ternary Complex of Human Dna Polymerase Theta C-Terminal Domain Binding Ddgtp Opposite Dcmp, PDB code: 4x0q was solved by K.E.Zahn, S.Doublie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.93 / 3.90
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	99.704, 135.392, 159.819, 90.00, 90.00, 90.00
R / Rfree (%)	25.8 / 31.6

The binding sites of Magnesium atom in the Ternary Complex of Human Dna Polymerase Theta C-Terminal Domain Binding Ddgtp Opposite Dcmp (pdb code 4x0q). 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 of Human Dna Polymerase Theta C-Terminal Domain Binding Ddgtp Opposite Dcmp, PDB code: 4x0q:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Ternary Complex of Human Dna Polymerase Theta C-Terminal Domain Binding Ddgtp Opposite Dcmp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ternary Complex of Human Dna Polymerase Theta C-Terminal Domain Binding Ddgtp Opposite Dcmp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2603 b:95.1 occ:1.00 OD1 A:ASP2540 1.9 89.6 1.0 O1B A:DG32604 2.0 97.2 1.0 O1G A:DG32604 2.4 0.7 1.0 OD1 A:ASP2330 2.5 0.5 1.0 OD2 A:ASP2330 2.6 0.1 1.0 O1A A:DG32604 2.8 96.5 1.0 O A:TYR2331 2.9 0.6 1.0 CG A:ASP2330 2.9 0.8 1.0 CG A:ASP2540 3.0 86.9 1.0 PB A:DG32604 3.4 0.2 1.0 OD2 A:ASP2540 3.7 86.0 1.0 PG A:DG32604 3.8 0.5 1.0 O3B A:DG32604 4.0 0.2 1.0 C5' A:DG32604 4.0 95.7 1.0 C A:TYR2331 4.1 0.1 1.0 PA A:DG32604 4.1 97.9 1.0 CB A:ASP2540 4.1 84.8 1.0 O2B A:DG32604 4.4 0.1 1.0 CB A:ASP2330 4.4 0.7 1.0 O3A A:DG32604 4.4 99.6 1.0 O2G A:DG32604 4.5 0.8 1.0 N A:TYR2331 4.5 92.5 1.0 O5' A:DG32604 4.6 97.3 1.0 N A:GLN2333 4.9 0.4 1.0 O3G A:DG32604 4.9 0.7 1.0 CA A:TYR2331 4.9 95.1 1.0 C A:ASP2330 5.0 0.8 1.0 CA A:ASP2330 5.0 0.3 1.0

Magnesium binding site 2 out of 2 in the Ternary Complex of Human Dna Polymerase Theta C-Terminal Domain Binding Ddgtp Opposite Dcmp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ternary Complex of Human Dna Polymerase Theta C-Terminal Domain Binding Ddgtp Opposite Dcmp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2603 b:76.5 occ:1.00 OD1 B:ASP2540 1.9 78.7 1.0 O1B B:DG32604 2.0 75.2 1.0 O1G B:DG32604 2.4 0.8 1.0 OD1 B:ASP2330 2.4 0.5 1.0 O1A B:DG32604 2.7 73.2 1.0 OD2 B:ASP2330 2.7 0.8 1.0 O B:TYR2331 2.9 0.5 1.0 CG B:ASP2330 2.9 0.9 1.0 CG B:ASP2540 3.1 76.1 1.0 PB B:DG32604 3.5 74.4 1.0 PG B:DG32604 3.7 0.5 1.0 OD2 B:ASP2540 3.9 75.3 1.0 O3B B:DG32604 3.9 75.0 1.0 PA B:DG32604 4.0 73.8 1.0 C B:TYR2331 4.1 96.2 1.0 CB B:ASP2540 4.1 73.8 1.0 C5' B:DG32604 4.3 72.8 1.0 O3A B:DG32604 4.3 74.5 1.0 O2G B:DG32604 4.4 0.2 1.0 CB B:ASP2330 4.4 0.9 1.0 O2B B:DG32604 4.5 74.8 1.0 N B:GLN2333 4.6 0.1 1.0 N B:TYR2331 4.6 77.4 1.0 O5' B:DG32604 4.6 73.5 1.0 CA B:SER2332 4.8 0.6 1.0 O3G B:DG32604 4.9 0.9 1.0 N B:SER2332 5.0 0.3 1.0 CA B:TYR2331 5.0 82.1 1.0 C B:ASP2330 5.0 0.1 1.0

K.E.Zahn, A.M.Averil, P.Aller, R.D.Wood, S.Doublie. Human Dna Polymerase Theta Grasps the Primer Terminus to Mediate Dna Repair Nat.Struct.Mol.Biol. 2015.
ISSN: ESSN 1545-9985
DOI: 10.1038/NSMB.2993