Fluorine in PDB 3ecc: Crystal Structure of the Dnac Helicase Loader in Complex with Adp-BEF3

The structure of Crystal Structure of the Dnac Helicase Loader in Complex with Adp-BEF3, PDB code: 3ecc was solved by M.L.Mott, J.P.Erzberger, M.M.Coons, J.Berger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.70
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	84.582, 84.582, 49.587, 90.00, 90.00, 120.00
R / Rfree (%)	26.3 / 29.4

The structure of Crystal Structure of the Dnac Helicase Loader in Complex with Adp-BEF3 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of the Dnac Helicase Loader in Complex with Adp-BEF3 (pdb code 3ecc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of the Dnac Helicase Loader in Complex with Adp-BEF3, PDB code: 3ecc:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of the Dnac Helicase Loader in Complex with Adp-BEF3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Dnac Helicase Loader in Complex with Adp-BEF3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1554 b:51.7 occ:1.00 F1 A:BEF1554 0.0 51.7 1.0 BE A:BEF1554 1.8 51.1 1.0 NZ A:LYS92 2.4 34.1 1.0 O3B A:ADP500 2.8 47.6 1.0 F3 A:BEF1554 3.0 50.3 1.0 F2 A:BEF1554 3.1 52.7 1.0 O2B A:ADP500 3.2 47.6 1.0 CE A:LYS92 3.2 34.5 1.0 PB A:ADP500 3.3 46.7 1.0 CA A:PRO88 3.5 43.4 1.0 ND2 A:ASN182 3.6 66.7 1.0 O A:SER87 3.9 43.0 1.0 MG A:MG300 3.9 63.5 1.0 N A:PRO88 3.9 43.3 1.0 O1B A:ADP500 4.0 45.4 1.0 C A:SER87 4.1 43.1 1.0 CG A:ASN182 4.3 66.2 1.0 N A:GLY89 4.4 42.8 1.0 CB A:PRO88 4.4 43.6 1.0 C A:PRO88 4.5 43.4 1.0 OD1 A:ASN182 4.5 67.0 1.0 O A:GLY86 4.5 42.2 1.0 CD A:LYS92 4.6 36.8 1.0 CG A:PRO88 4.7 43.8 1.0 CD A:PRO88 4.7 43.4 1.0 O3A A:ADP500 4.8 44.9 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of the Dnac Helicase Loader in Complex with Adp-BEF3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Dnac Helicase Loader in Complex with Adp-BEF3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1554 b:52.7 occ:1.00 F2 A:BEF1554 0.0 52.7 1.0 MG A:MG300 1.5 63.5 1.0 BE A:BEF1554 1.8 51.1 1.0 O1B A:ADP500 2.9 45.4 1.0 F1 A:BEF1554 3.1 51.7 1.0 F3 A:BEF1554 3.1 50.3 1.0 O3B A:ADP500 3.1 47.6 1.0 OD1 A:ASP149 3.2 57.3 1.0 OG1 A:THR93 3.2 40.0 1.0 PB A:ADP500 3.5 46.7 1.0 CG A:ASP149 4.0 55.8 1.0 NH2 A:ARG226 4.2 58.2 1.0 O2B A:ADP500 4.3 47.6 1.0 OD2 A:ASP149 4.4 57.4 1.0 OD1 A:ASP148 4.4 49.8 1.0 CB A:THR93 4.5 39.3 1.0 O2A A:ADP500 4.6 44.3 1.0 O3A A:ADP500 4.8 44.9 1.0 NZ A:LYS92 4.9 34.1 1.0 CE A:LYS92 4.9 34.5 1.0 CB A:ASP149 5.0 54.4 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of the Dnac Helicase Loader in Complex with Adp-BEF3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the Dnac Helicase Loader in Complex with Adp-BEF3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1554 b:50.3 occ:1.00 F3 A:BEF1554 0.0 50.3 1.0 BE A:BEF1554 1.8 51.1 1.0 O3B A:ADP500 2.4 47.6 1.0 NH2 A:ARG226 2.6 58.2 1.0 NH1 A:ARG226 2.9 58.4 1.0 F1 A:BEF1554 3.0 51.7 1.0 F2 A:BEF1554 3.1 52.7 1.0 CZ A:ARG226 3.2 59.3 1.0 PB A:ADP500 3.9 46.7 1.0 CA A:PRO88 3.9 43.4 1.0 CB A:PRO88 4.0 43.6 1.0 N A:GLY89 4.0 42.8 1.0 MG A:MG300 4.2 63.5 1.0 O1B A:ADP500 4.5 45.4 1.0 C A:PRO88 4.5 43.4 1.0 NE A:ARG226 4.5 60.9 1.0 O2B A:ADP500 4.7 47.6 1.0 O3A A:ADP500 4.8 44.9 1.0 CG A:PRO88 4.8 43.8 1.0 OD1 A:ASP149 4.8 57.3 1.0 O2A A:ADP500 4.9 44.3 1.0

M.L.Mott, J.P.Erzberger, M.M.Coons, J.M.Berger. Structural Synergy and Molecular Crosstalk Between Bacterial Helicase Loaders and Replication Initiators. Cell(Cambridge,Mass.) V. 135 623 2008.
ISSN: ISSN 0092-8674
PubMed: 19013274
DOI: 10.1016/J.CELL.2008.09.058