Fluorine in PDB 4gxj: R283K Dna Polymerase Beta Ternary Complex with A Templating 8OG and Incoming Dctp Analog

All present enzymatic activity of R283K Dna Polymerase Beta Ternary Complex with A Templating 8OG and Incoming Dctp Analog:
2.7.7.7;

The structure of R283K Dna Polymerase Beta Ternary Complex with A Templating 8OG and Incoming Dctp Analog, PDB code: 4gxj was solved by B.D.Freudenthal, W.A.Beard, S.H.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.06 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.084, 77.432, 55.125, 90.00, 114.45, 90.00
R / Rfree (%)	23.1 / 29.2

The structure of R283K Dna Polymerase Beta Ternary Complex with A Templating 8OG and Incoming Dctp Analog also contains other interesting chemical elements:

Manganese	(Mn)	7 atoms
Sodium	(Na)	2 atoms

The binding sites of Fluorine atom in the R283K Dna Polymerase Beta Ternary Complex with A Templating 8OG and Incoming Dctp Analog (pdb code 4gxj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the R283K Dna Polymerase Beta Ternary Complex with A Templating 8OG and Incoming Dctp Analog, PDB code: 4gxj:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the R283K Dna Polymerase Beta Ternary Complex with A Templating 8OG and Incoming Dctp Analog


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of R283K Dna Polymerase Beta Ternary Complex with A Templating 8OG and Incoming Dctp Analog within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:32.2 occ:1.00 F1A A:6CF401 0.0 32.2 1.0 C3A A:6CF401 1.3 35.8 1.0 F2A A:6CF401 2.2 28.0 1.0 P2 A:6CF401 2.5 41.5 1.0 P1 A:6CF401 2.5 37.8 1.0 O2B A:6CF401 2.6 46.5 1.0 O5' A:6CF401 2.7 42.3 1.0 O1A A:6CF401 3.2 37.6 1.0 O3B A:6CF401 3.5 31.7 1.0 O1B A:6CF401 3.6 29.8 1.0 C5' A:6CF401 3.8 41.2 1.0 C6 A:6CF401 3.9 32.8 1.0 C3' A:6CF401 3.9 39.8 1.0 O2A A:6CF401 3.9 24.9 1.0 O2G A:6CF401 4.3 31.1 1.0 C5 A:6CF401 4.3 34.4 1.0 P3 A:6CF401 4.4 42.8 1.0 C4' A:6CF401 4.4 33.9 1.0 O3' A:6CF401 4.5 43.3 1.0 MN A:MN403 4.7 28.3 1.0 OD1 A:ASP276 4.7 40.2 1.0 O1G A:6CF401 4.8 35.3 1.0 C2' A:6CF401 4.8 34.7 1.0 O4' A:6CF401 4.8 38.0 1.0 N1 A:6CF401 4.8 41.2 1.0 CB A:ASP276 4.9 44.4 1.0 CG A:ASP276 5.0 46.3 1.0

Fluorine binding site 2 out of 2 in the R283K Dna Polymerase Beta Ternary Complex with A Templating 8OG and Incoming Dctp Analog


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of R283K Dna Polymerase Beta Ternary Complex with A Templating 8OG and Incoming Dctp Analog within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:28.0 occ:1.00 F2A A:6CF401 0.0 28.0 1.0 C3A A:6CF401 1.3 35.8 1.0 F1A A:6CF401 2.2 32.2 1.0 O2G A:6CF401 2.6 31.1 1.0 P2 A:6CF401 2.6 41.5 1.0 P1 A:6CF401 2.7 37.8 1.0 O3B A:6CF401 2.9 31.7 1.0 P3 A:6CF401 2.9 42.8 1.0 O1G A:6CF401 2.9 35.3 1.0 O1A A:6CF401 3.1 37.6 1.0 O2A A:6CF401 3.5 24.9 1.0 O1B A:6CF401 3.6 29.8 1.0 O2B A:6CF401 3.7 46.5 1.0 O5' A:6CF401 3.8 42.3 1.0 MN A:MN403 3.8 28.3 1.0 O3G A:6CF401 4.4 33.9 1.0 O A:HOH502 4.7 24.8 1.0 C5' A:6CF401 4.9 41.2 1.0

B.D.Freudenthal, W.A.Beard, S.H.Wilson. Dna Polymerase Minor Groove Interactions Modulate Mutagenic Bypass of A Templating 8-Oxoguanine Lesion. Nucleic Acids Res. V. 41 1848 2013.
ISSN: ISSN 0305-1048
PubMed: 23267011
DOI: 10.1093/NAR/GKS1276