Fluorine in PDB 3v6h: 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: 3v6h was solved by L.Zhao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.80 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.532, 111.267, 98.942, 90.00, 102.68, 90.00
R / Rfree (%)	21.5 / 26.7

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

Magnesium	(Mg)	4 atoms
Calcium	(Ca)	3 atoms

The binding sites of Fluorine atom in the Replication of N2,3-Ethenoguanine By Dna Polymerases (pdb code 3v6h). 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: 3v6h:
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 T:F5 b:92.0 occ:1.00 F T:EFG5 0.0 92.0 1.0 C2' T:EFG5 1.4 87.2 1.0 C3' T:EFG5 2.3 85.9 1.0 C1' T:EFG5 2.5 84.5 1.0 O5' T:EFG5 2.7 94.6 1.0 C8 T:EFG5 2.7 79.7 1.0 N9 T:EFG5 2.8 80.2 1.0 N2 T:DG6 2.8 67.7 1.0 C4' T:EFG5 3.1 86.8 1.0 C5' T:EFG5 3.2 89.4 1.0 O4' T:EFG5 3.3 87.1 1.0 NH1 B:ARG332 3.5 82.9 1.0 C2 T:DG6 3.5 63.8 1.0 O3' T:EFG5 3.6 84.3 1.0 CZ B:ARG332 3.8 80.4 1.0 NH2 B:ARG332 3.9 74.5 1.0 N3 T:DG6 3.9 61.3 1.0 N7 T:EFG5 3.9 77.2 1.0 P T:EFG5 4.0 0.2 1.0 OP2 T:DG6 4.0 82.3 1.0 OP2 T:EFG5 4.1 0.1 1.0 C4 T:EFG5 4.1 75.3 1.0 P T:DG6 4.3 83.4 1.0 N1 T:DG6 4.4 63.4 1.0 O5' T:DG6 4.5 74.4 1.0 C5 T:EFG5 4.6 76.5 1.0 NE B:ARG332 4.6 82.3 1.0 O3' T:DC4 4.8 0.8 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 C:F5 b:58.3 occ:1.00 F C:EFG5 0.0 58.3 1.0 C2' C:EFG5 1.4 50.6 1.0 C3' C:EFG5 2.3 50.9 1.0 C1' C:EFG5 2.5 50.5 1.0 N2 C:DG6 2.8 61.5 1.0 N9 C:EFG5 2.8 48.8 1.0 O5' C:EFG5 2.8 54.1 1.0 N3 C:DG6 2.9 52.7 1.0 NH2 A:ARG332 2.9 39.7 1.0 C8 C:EFG5 2.9 52.0 1.0 C2 C:DG6 3.0 58.5 1.0 C4' C:EFG5 3.2 53.2 1.0 CZ A:ARG332 3.3 42.9 1.0 O4' C:EFG5 3.4 53.4 1.0 O3' C:EFG5 3.4 49.8 1.0 C5' C:EFG5 3.6 53.6 1.0 NE A:ARG332 3.7 43.5 1.0 NH1 A:ARG332 3.8 43.5 1.0 O5' C:DG6 3.8 47.9 1.0 C4 C:DG6 3.9 49.5 1.0 OP2 C:DG6 3.9 47.7 1.0 C4 C:EFG5 3.9 49.1 1.0 P C:DG6 4.0 48.6 1.0 OP2 C:EFG5 4.0 55.4 1.0 P C:EFG5 4.0 56.5 1.0 N1 C:DG6 4.0 58.7 1.0 N7 C:EFG5 4.1 51.5 1.0 O4' C:DG6 4.1 43.8 1.0 O C:HOH113 4.3 74.2 1.0 C5 C:EFG5 4.5 50.5 1.0 N9 C:DG6 4.6 49.5 1.0 C5' C:DG6 4.7 46.3 1.0 CD A:ARG332 4.7 44.5 1.0 C1' C:DG6 4.8 46.9 1.0 C5 C:DG6 4.8 52.5 1.0 N3 C:EFG5 4.8 47.8 1.0 O3' C:DC4 4.9 55.1 1.0 C4' C:DG6 4.9 46.0 1.0 C6 C:DG6 4.9 55.0 1.0 C2' C:DG6 4.9 46.8 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