Fluorine in PDB 4f5n: Open Ternary Complex of R283K Dna Polymerase Beta with A Metal Free Dctp Analog

All present enzymatic activity of Open Ternary Complex of R283K Dna Polymerase Beta with A Metal Free Dctp Analog:
2.7.7.7;

The structure of Open Ternary Complex of R283K Dna Polymerase Beta with A Metal Free Dctp Analog, PDB code: 4f5n 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)	22.10 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.322, 79.181, 54.857, 90.00, 105.53, 90.00
R / Rfree (%)	18.7 / 22

The structure of Open Ternary Complex of R283K Dna Polymerase Beta with A Metal Free Dctp Analog also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Fluorine atom in the Open Ternary Complex of R283K Dna Polymerase Beta with A Metal Free Dctp Analog (pdb code 4f5n). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Open Ternary Complex of R283K Dna Polymerase Beta with A Metal Free Dctp Analog, PDB code: 4f5n:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Open Ternary Complex of R283K Dna Polymerase Beta with A Metal Free Dctp Analog


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Open Ternary Complex of R283K Dna Polymerase Beta with A Metal Free Dctp Analog within 5.0Å range: probe atom residue distance (Å) B Occ A:F404 b:37.9 occ:1.00 F1A A:6CF404 0.0 37.9 1.0 C3A A:6CF404 1.3 37.5 1.0 F2A A:6CF404 2.2 34.5 1.0 P1 A:6CF404 2.6 37.0 1.0 P2 A:6CF404 2.6 43.0 1.0 O A:HOH652 2.9 33.4 1.0 O1B A:6CF404 3.0 35.5 1.0 O5' A:6CF404 3.0 32.6 1.0 O1A A:6CF404 3.1 38.5 1.0 O A:HOH818 3.1 31.8 1.0 O A:HOH541 3.3 31.2 1.0 O3B A:6CF404 3.3 39.7 1.0 O3G A:6CF404 3.6 33.5 1.0 O A:HOH864 3.7 39.8 1.0 P3 A:6CF404 3.8 41.7 1.0 O A:HOH862 3.8 44.8 1.0 O2B A:6CF404 3.9 43.9 1.0 O2A A:6CF404 3.9 40.4 1.0 O A:HOH601 3.9 38.1 1.0 C5' A:6CF404 4.0 32.1 1.0 O1G A:6CF404 4.1 44.9 1.0 O A:HOH795 4.5 39.3 1.0 O A:HOH879 4.6 46.0 1.0 O A:HOH615 4.9 34.6 1.0

Fluorine binding site 2 out of 2 in the Open Ternary Complex of R283K Dna Polymerase Beta with A Metal Free Dctp Analog


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Open Ternary Complex of R283K Dna Polymerase Beta with A Metal Free Dctp Analog within 5.0Å range: probe atom residue distance (Å) B Occ A:F404 b:34.5 occ:1.00 F2A A:6CF404 0.0 34.5 1.0 C3A A:6CF404 1.3 37.5 1.0 F1A A:6CF404 2.2 37.9 1.0 P2 A:6CF404 2.5 43.0 1.0 P1 A:6CF404 2.6 37.0 1.0 O3B A:6CF404 2.9 39.7 1.0 O A:HOH541 3.0 31.2 1.0 O2A A:6CF404 3.1 40.4 1.0 O5' A:6CF404 3.1 32.6 1.0 O2B A:6CF404 3.2 43.9 1.0 N A:SER180 3.3 28.4 1.0 C5' A:6CF404 3.5 32.1 1.0 NH1 A:ARG183 3.6 34.5 1.0 CA A:GLY179 3.8 22.9 1.0 O1B A:6CF404 3.9 35.5 1.0 O1A A:6CF404 3.9 38.5 1.0 C A:GLY179 3.9 26.1 1.0 P3 A:6CF404 3.9 41.7 1.0 O3G A:6CF404 3.9 33.5 1.0 CB A:SER180 4.0 25.5 1.0 NH2 A:ARG183 4.0 36.0 1.0 CA A:SER180 4.0 27.6 1.0 CZ A:ARG183 4.2 35.2 1.0 OG A:SER180 4.6 27.9 1.0 O A:HOH864 4.7 39.8 1.0 O A:HOH652 4.8 33.4 1.0 O1G A:6CF404 4.9 44.9 1.0 O A:GLY179 4.9 24.7 1.0 C4' A:6CF404 4.9 32.7 1.0

B.D.Freudenthal, W.A.Beard, S.H.Wilson. Structures of Dntp Intermediate States During Dna Polymerase Active Site Assembly. Structure V. 20 1829 2012.
ISSN: ISSN 0969-2126
PubMed: 22959623
DOI: 10.1016/J.STR.2012.08.008