Fluorine in PDB 3v6j: Replication of N2,3-Ethenoguanine By Dna Polymerases

All present enzymatic activity of Replication of N2,3-Ethenoguanine By Dna Polymerases:
2.7.7.7;

The structure of Replication of N2,3-Ethenoguanine By Dna Polymerases, PDB code: 3v6j was solved by L.Zhao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.84 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.700, 111.419, 98.807, 90.00, 102.57, 90.00
R / Rfree (%)	21 / 27.3

The structure of Replication of N2,3-Ethenoguanine By Dna Polymerases also contains other interesting chemical elements:

Magnesium

(Mg)

5 atoms

The binding sites of Fluorine atom in the Replication of N2,3-Ethenoguanine By Dna Polymerases (pdb code 3v6j). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Replication of N2,3-Ethenoguanine By Dna Polymerases, PDB code: 3v6j:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Replication of N2,3-Ethenoguanine By Dna Polymerases


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Replication of N2,3-Ethenoguanine By Dna Polymerases within 5.0Å range: probe atom residue distance (Å) B Occ B:F5 b:58.8 occ:1.00 F B:EFG5 0.0 58.8 1.0 C2' B:EFG5 1.4 42.5 1.0 C3' B:EFG5 2.2 38.6 1.0 C1' B:EFG5 2.3 40.5 1.0 N9 B:EFG5 2.6 40.7 1.0 C8 B:EFG5 2.7 43.0 1.0 N2 B:DG6 2.7 58.1 1.0 O5' B:EFG5 2.7 45.9 1.0 N3 B:DG6 2.8 38.5 1.0 C2 B:DG6 2.9 45.6 1.0 O4' B:EFG5 2.9 38.1 1.0 C4' B:EFG5 2.9 39.7 1.0 O3' B:EFG5 3.3 35.7 1.0 C5' B:EFG5 3.3 40.6 1.0 NH2 A:ARG332 3.3 29.8 1.0 CZ A:ARG332 3.5 35.6 1.0 C4 B:EFG5 3.7 40.1 1.0 OP2 B:EFG5 3.7 47.5 1.0 N7 B:EFG5 3.8 38.4 1.0 P B:EFG5 3.8 48.6 1.0 C4 B:DG6 3.8 32.2 1.0 NH1 A:ARG332 3.9 38.6 1.0 NE A:ARG332 3.9 32.0 1.0 O5' B:DG6 3.9 36.3 1.0 N1 B:DG6 3.9 48.7 1.0 OP2 B:DG6 3.9 34.0 1.0 P B:DG6 4.0 36.7 1.0 O4' B:DG6 4.1 30.6 1.0 C5 B:EFG5 4.3 40.4 1.0 OP1 B:EFG5 4.5 51.5 1.0 N9 B:DG6 4.6 35.2 1.0 N3 B:EFG5 4.6 40.5 1.0 C5' B:DG6 4.7 32.9 1.0 C5 B:DG6 4.7 38.4 1.0 CD A:ARG332 4.8 34.1 1.0 O3' B:DT4 4.8 45.4 1.0 C1' B:DG6 4.8 33.3 1.0 C6 B:DG6 4.8 40.2 1.0 C9 B:EFG5 4.9 45.5 1.0 C4' B:DG6 4.9 32.7 1.0 C2' B:DG6 5.0 33.6 1.0

Fluorine binding site 2 out of 2 in the Replication of N2,3-Ethenoguanine By Dna Polymerases


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Replication of N2,3-Ethenoguanine By Dna Polymerases within 5.0Å range: probe atom residue distance (Å) B Occ M:F5 b:96.4 occ:1.00 F M:EFG5 0.0 96.4 1.0 C2' M:EFG5 1.4 91.1 1.0 C3' M:EFG5 2.4 87.4 1.0 C1' M:EFG5 2.5 81.5 1.0 OP1 M:EFG5 2.7 89.2 1.0 C8 M:EFG5 2.8 70.8 1.0 N9 M:EFG5 2.8 72.5 1.0 C5' M:EFG5 2.9 88.4 1.0 C4' M:EFG5 3.1 92.2 1.0 N2 M:DG6 3.1 75.6 1.0 NH2 J:ARG332 3.4 64.4 1.0 O4' M:EFG5 3.4 84.8 1.0 P M:EFG5 3.6 98.5 1.0 O5' M:EFG5 3.7 96.6 1.0 O3' M:EFG5 3.7 88.9 1.0 OP2 M:DG6 3.8 76.2 1.0 C2 M:DG6 3.8 60.9 1.0 NE J:ARG332 4.0 82.1 1.0 CZ J:ARG332 4.0 75.0 1.0 N7 M:EFG5 4.1 64.8 1.0 C4 M:EFG5 4.1 59.9 1.0 N3 M:DG6 4.1 57.1 1.0 P M:DG6 4.3 82.4 1.0 O J:HOH516 4.5 57.8 1.0 O3' M:DT4 4.5 0.7 1.0 O5' M:DG6 4.6 79.2 1.0 N1 M:DG6 4.7 58.6 1.0 C5 M:EFG5 4.7 61.6 1.0 OP2 M:EFG5 4.9 83.4 1.0

L.Zhao, P.P.Christov, I.D.Kozekov, M.G.Pence, P.S.Pallan, C.J.Rizzo, M.Egli, F.P.Guengerich. Replication of N(2) ,3-Ethenoguanine By Dna Polymerases. Angew.Chem.Int.Ed.Engl. V. 51 5466 2012.
ISSN: ISSN 1433-7851
PubMed: 22488769
DOI: 10.1002/ANIE.201109004