Fluorine in PDB 7dep: S. Aureus Ssbb with 5-Fu

The structure of S. Aureus Ssbb with 5-Fu, PDB code: 7dep was solved by E.S.Lin, Y.H.Huang, C.Y.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.09 / 3.09
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	116.962, 116.962, 77.713, 90.00, 90.00, 120.00
R / Rfree (%)	21.2 / 27.1

The binding sites of Fluorine atom in the S. Aureus Ssbb with 5-Fu (pdb code 7dep). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the S. Aureus Ssbb with 5-Fu, PDB code: 7dep:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the S. Aureus Ssbb with 5-Fu


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of S. Aureus Ssbb with 5-Fu within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:0.8 occ:1.00 F5 A:URF201 0.0 0.8 1.0 C5 A:URF201 1.4 0.8 1.0 C6 A:URF201 2.4 0.4 1.0 C4 A:URF201 2.5 0.4 1.0 H6 A:URF201 2.6 0.6 1.0 O4 A:URF201 2.9 0.2 1.0 ND2 A:ASN50 3.3 70.8 1.0 N1 A:URF201 3.6 0.5 1.0 N3 A:URF201 3.7 0.6 1.0 OG1 A:THR30 4.0 78.5 1.0 C2 A:URF201 4.1 0.6 1.0 CG A:ASN50 4.3 67.6 1.0 HN1 A:URF201 4.4 0.2 1.0 OD1 A:ASN50 4.5 85.8 1.0 HN3 A:URF201 4.6 1.0 1.0 CG2 A:THR30 4.6 65.4 1.0 CB A:THR30 4.9 69.2 1.0

Fluorine binding site 2 out of 2 in the S. Aureus Ssbb with 5-Fu


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of S. Aureus Ssbb with 5-Fu within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:0.1 occ:1.00 F5 B:URF201 0.0 0.1 1.0 C5 B:URF201 1.4 0.4 1.0 O B:HOH301 2.2 81.4 1.0 C6 B:URF201 2.4 1.0 1.0 C4 B:URF201 2.5 0.8 1.0 H6 B:URF201 2.7 0.8 1.0 O4 B:URF201 2.8 0.7 1.0 N1 B:URF201 3.6 0.8 1.0 N3 B:URF201 3.7 0.3 1.0 C2 B:URF201 4.1 0.7 1.0 HN1 B:URF201 4.5 0.2 1.0 HN3 B:URF201 4.5 0.8 1.0 NZ B:LYS13 4.6 0.1 1.0

E.S.Lin, C.Y.Huang. Crystal Structure of the Single-Stranded Dna-Binding Protein Ssbb in Complex with the Anticancer Drug 5-Fluorouracil: Extension of the 5-Fluorouracil Interactome to Include the Oligonucleotide/Oligosaccharide-Binding Fold Protein Biochem.Biophys.Res.Commun. V. 534 41 2020.
ISSN: ESSN 1090-2104
DOI: 10.1016/J.BBRC.2020.11.125