Fluorine in PDB 7a90: Wt Sting in Complex with 3',3'-C-Di[2'Fdam(Ps)]

The structure of Wt Sting in Complex with 3',3'-C-Di[2'Fdam(Ps)], PDB code: 7a90 was solved by E.Boura, M.Smola, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.04 / 3.19
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	110.811, 110.811, 35.601, 90, 90, 90
R / Rfree (%)	21.7 / 25.1

The binding sites of Fluorine atom in the Wt Sting in Complex with 3',3'-C-Di[2'Fdam(Ps)] (pdb code 7a90). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Wt Sting in Complex with 3',3'-C-Di[2'Fdam(Ps)], PDB code: 7a90:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Wt Sting in Complex with 3',3'-C-Di[2'Fdam(Ps)]


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Wt Sting in Complex with 3',3'-C-Di[2'Fdam(Ps)] within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:27.5 occ:0.50 F6 A:R4T401 0.0 27.5 0.5 C16 A:R4T401 1.3 28.2 0.5 H16 A:R4T401 2.0 34.0 0.5 C17 A:R4T401 2.3 27.3 0.5 C15 A:R4T401 2.3 27.2 0.5 H17 A:R4T401 2.3 32.9 0.5 H18 A:R4T401 2.6 32.4 0.5 O7 A:R4T401 2.6 27.7 0.5 C18 A:R4T401 2.8 26.8 0.5 O5 A:R4T401 3.0 27.0 0.5 H15 A:R4T401 3.2 32.8 0.5 N6 A:R4T401 3.4 27.2 0.5 N5 A:R4T401 3.6 27.9 0.5 O A:R4T401 3.7 27.9 0.5 C11 A:R4T401 3.8 27.0 0.5 P A:R4T401 3.8 26.1 0.5 C19 A:R4T401 4.3 26.6 0.5 HH12 A:ARG238 4.5 32.7 1.0 H191 A:R4T401 4.6 32.0 0.5 C14 A:R4T401 4.6 27.3 0.5 C10 A:R4T401 4.7 29.8 0.5 HH22 A:ARG238 4.7 31.9 1.0 H192 A:R4T401 4.8 32.0 0.5 H10 A:R4T401 4.9 36.0 0.5 S3 A:R4T401 4.9 26.2 0.5 O2 A:R4T401 5.0 27.1 0.5

Fluorine binding site 2 out of 2 in the Wt Sting in Complex with 3',3'-C-Di[2'Fdam(Ps)]


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Wt Sting in Complex with 3',3'-C-Di[2'Fdam(Ps)] within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:27.4 occ:0.50 F9 A:R4T401 0.0 27.4 0.5 C6 A:R4T401 1.3 27.8 0.5 H6 A:R4T401 2.0 33.6 0.5 C7 A:R4T401 2.3 27.6 0.5 C5 A:R4T401 2.3 27.5 0.5 H7 A:R4T401 2.3 33.2 0.5 HD3 A:PRO264 2.5 28.0 1.0 HD1 A:TYR163 2.5 32.4 1.0 H8 A:R4T401 2.6 33.8 0.5 O10 A:R4T401 2.6 27.7 0.5 HB A:THR263 2.7 32.0 1.0 C8 A:R4T401 2.8 28.0 0.5 O1 A:R4T401 3.0 26.9 0.5 HG3 A:PRO264 3.1 30.9 1.0 H5 A:R4T401 3.2 33.2 0.5 HE1 A:TYR163 3.3 38.0 1.0 CD A:PRO264 3.3 23.2 1.0 CD1 A:TYR163 3.3 26.9 1.0 N2 A:R4T401 3.4 27.6 0.5 N1 A:R4T401 3.6 27.4 0.5 HG1 A:THR263 3.6 28.3 1.0 CB A:THR263 3.6 26.5 1.0 CG A:PRO264 3.6 25.6 1.0 O22 A:R4T401 3.7 27.7 0.5 CE1 A:TYR163 3.7 31.5 1.0 C1 A:R4T401 3.8 27.1 0.5 OG1 A:THR263 3.8 23.4 1.0 P1 A:R4T401 3.8 28.2 0.5 HG2 A:PRO264 3.9 30.9 1.0 HD2 A:PRO264 4.0 28.0 1.0 N A:PRO264 4.2 20.9 1.0 HA A:TYR163 4.2 33.1 1.0 H A:THR263 4.2 32.1 1.0 C9 A:R4T401 4.3 26.8 0.5 HG21 A:THR263 4.5 31.1 1.0 CA A:THR263 4.5 21.6 1.0 CG A:TYR163 4.5 24.2 1.0 CG2 A:THR263 4.6 25.8 1.0 N A:THR263 4.6 26.6 1.0 HB2 A:TYR163 4.6 32.0 1.0 H91 A:R4T401 4.6 32.3 0.5 C A:THR263 4.6 20.2 1.0 C4 A:R4T401 4.6 27.3 0.5 HB2 A:TYR167 4.7 34.4 1.0 C A:R4T401 4.7 29.8 0.5 HG22 A:THR263 4.7 31.1 1.0 H92 A:R4T401 4.8 32.3 0.5 CB A:PRO264 4.9 21.4 1.0 HA A:PRO264 4.9 26.3 1.0 H A:R4T401 4.9 36.0 0.5 CB A:TYR163 4.9 26.5 1.0 S4 A:R4T401 4.9 26.2 0.5 O8 A:R4T401 5.0 26.5 0.5 CA A:PRO264 5.0 21.8 1.0

E.Boura, M.Smola. Wt Sting in Complex with 3',3'-C-Di[2'Fdam(Ps)] To Be Published.