Fluorine in PDB 3v6k: 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: 3v6k was solved by L.Zhao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.90 / 3.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.855, 110.953, 100.238, 90.00, 102.70, 90.00
R / Rfree (%)	22.9 / 30.3

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

Magnesium	(Mg)	4 atoms
Calcium	(Ca)	7 atoms
Sodium	(Na)	4 atoms

The binding sites of Fluorine atom in the Replication of N2,3-Ethenoguanine By Dna Polymerases (pdb code 3v6k). 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: 3v6k:
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:75.1 occ:1.00 F B:EFG5 0.0 75.1 1.0 C2' B:EFG5 1.4 71.0 1.0 C3' B:EFG5 2.3 71.3 1.0 C1' B:EFG5 2.3 69.5 1.0 C8 B:EFG5 2.6 71.8 1.0 N9 B:EFG5 2.6 69.7 1.0 O5' B:EFG5 2.6 71.5 1.0 O4' B:EFG5 2.9 70.5 1.0 C4' B:EFG5 3.0 71.3 1.0 CZ A:ARG332 3.4 71.5 1.0 C5' B:EFG5 3.4 72.4 1.0 NE A:ARG332 3.5 71.9 1.0 O3' B:EFG5 3.5 69.3 1.0 OP2 B:EFG5 3.5 73.5 1.0 P B:EFG5 3.6 73.1 1.0 C8 B:DG6 3.6 66.7 1.0 OP2 B:DG6 3.6 70.0 1.0 NH2 A:ARG332 3.6 69.4 1.0 N7 B:EFG5 3.7 72.3 1.0 C4 B:EFG5 3.7 68.7 1.0 NH1 A:ARG332 3.8 73.5 1.0 N7 B:DG6 3.8 67.2 1.0 CD A:ARG332 4.0 74.1 1.0 P B:DG6 4.0 68.5 1.0 O3' B:DC4 4.0 71.7 1.0 O5' B:DG6 4.1 66.5 1.0 C5 B:EFG5 4.2 70.3 1.0 O B:HOH203 4.5 90.6 1.0 OG1 A:THR250 4.6 75.8 1.0 N3 B:EFG5 4.6 67.2 1.0 N9 B:DG6 4.7 64.8 1.0 OP1 B:EFG5 4.8 75.0 1.0 O4' B:DG6 5.0 64.8 1.0 C9 B:EFG5 5.0 66.5 1.0 C5' B:DG6 5.0 65.3 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:0.3 occ:1.00 F M:EFG5 0.0 0.3 1.0 C2' M:EFG5 1.4 0.3 1.0 C3' M:EFG5 2.0 0.8 1.0 C5' M:EFG5 2.3 0.6 1.0 C8 M:EFG5 2.3 0.6 1.0 OP2 M:EFG5 2.3 0.1 1.0 C1' M:EFG5 2.4 0.8 1.0 C4' M:EFG5 2.5 0.6 1.0 N9 M:EFG5 2.7 0.8 1.0 O5' M:EFG5 2.7 0.2 1.0 O4' M:EFG5 3.0 0.6 1.0 P M:EFG5 3.1 0.4 1.0 NH1 J:ARG332 3.2 1.0 1.0 O3' M:EFG5 3.3 0.9 1.0 N7 M:EFG5 3.5 0.4 1.0 CZ J:ARG332 3.7 0.1 1.0 OP2 M:DG6 3.9 0.2 1.0 O3' M:DC4 4.0 0.8 1.0 C4 M:EFG5 4.0 0.4 1.0 P M:DG6 4.1 0.6 1.0 NE J:ARG332 4.2 0.1 1.0 C8 M:DG6 4.2 95.8 1.0 O5' M:DG6 4.2 0.6 1.0 OP1 M:EFG5 4.3 0.1 1.0 CD J:ARG332 4.3 0.5 1.0 NH2 J:ARG332 4.3 0.7 1.0 C5 M:EFG5 4.4 0.9 1.0 N7 M:DG6 4.6 93.3 1.0 O J:HOH510 4.7 90.6 1.0 OG1 J:THR250 4.8 0.2 1.0 O J:GLY41 4.9 93.8 1.0 O4' M:DG6 5.0 0.8 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