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Magnesium in PDB 8gd7: Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor

Enzymatic activity of Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor

All present enzymatic activity of Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor:
2.7.7.7;

Protein crystallography data

The structure of Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor, PDB code: 8gd7 was solved by W.A.Fried, X.S.Chen, S.X.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.86 / 3.24
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 171.433, 171.433, 63.167, 90, 90, 120
R / Rfree (%) 22.8 / 24.4

Other elements in 8gd7:

The structure of Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor also contains other interesting chemical elements:

Fluorine (F) 7 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor (pdb code 8gd7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor, PDB code: 8gd7:

Magnesium binding site 1 out of 1 in 8gd7

Go back to Magnesium Binding Sites List in 8gd7
Magnesium binding site 1 out of 1 in the Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Loop Deleted Dna Polymerase Theta Polymerase Domain in Complex with Double Strand Dna Overhang and Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg2601

b:82.8
occ:1.00
OD2 A:ASP2540 2.4 101.3 1.0
O3B A:DG32602 2.7 105.7 1.0
O1G A:DG32602 2.7 101.4 1.0
OD1 A:ASP2330 2.8 128.5 1.0
O1A A:DG32602 2.9 101.6 1.0
O1B A:DG32602 2.9 108.1 1.0
PB A:DG32602 3.2 107.4 1.0
CG A:ASP2540 3.4 100.0 1.0
PG A:DG32602 3.4 103.4 1.0
O3A A:DG32602 3.6 105.5 1.0
OD1 A:ASP2540 3.6 98.0 1.0
PA A:DG32602 3.7 103.3 1.0
CG A:ASP2330 3.8 128.2 1.0
OD2 A:ASP2330 4.0 129.5 1.0
O A:TYR2331 4.0 110.9 1.0
C5' A:DG32602 4.2 105.1 1.0
O2G A:DG32602 4.4 104.2 1.0
O3G A:DG32602 4.4 103.4 1.0
O5' A:DG32602 4.5 104.4 1.0
O2B A:DG32602 4.7 109.6 1.0
CB A:ASP2540 4.7 100.9 1.0

Reference:

W.Fried, M.Tyagi, L.Minakhin, G.Chandramouly, T.Tredinnick, M.Ramanjulu, W.Auerbacher, M.Calbert, T.Rusanov, T.Hoang, N.Borisonnik, R.Betsch, J.J.Krais, Y.Wang, U.M.Vekariya, J.Gordon, G.Morton, T.Kent, T.Skorski, N.Johnson, W.Childers, X.S.Chen, R.T.Pomerantz. Discovery of A Small-Molecule Inhibitor That Traps Pol Theta on Dna and Synergizes with Parp Inhibitors. Nat Commun V. 15 2862 2024.
ISSN: ESSN 2041-1723
PubMed: 38580648
DOI: 10.1038/S41467-024-46593-1
Page generated: Fri Oct 4 03:08:40 2024

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