Fluorine in PDB 6yea: Human Wtsting in Complex with 2',2'-Difluoro-3',3'-Cgamp

The structure of Human Wtsting in Complex with 2',2'-Difluoro-3',3'-Cgamp, PDB code: 6yea 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)	35.09 / 2.81
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	110.948, 110.948, 35.586, 90, 90, 90
R / Rfree (%)	20.8 / 23.5

The binding sites of Fluorine atom in the Human Wtsting in Complex with 2',2'-Difluoro-3',3'-Cgamp (pdb code 6yea). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Human Wtsting in Complex with 2',2'-Difluoro-3',3'-Cgamp, PDB code: 6yea:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Human Wtsting in Complex with 2',2'-Difluoro-3',3'-Cgamp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Wtsting in Complex with 2',2'-Difluoro-3',3'-Cgamp within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:39.8 occ:0.50 F6 A:OOE401 0.0 39.8 0.5 C16 A:OOE401 1.4 40.8 0.5 H16 A:OOE401 2.0 49.1 0.5 C15 A:OOE401 2.3 39.4 0.5 C17 A:OOE401 2.4 43.7 0.5 H17 A:OOE401 2.6 52.6 0.5 O7 A:OOE401 2.7 46.5 0.5 H18 A:OOE401 2.8 49.7 0.5 C18 A:OOE401 2.9 41.3 0.5 O5 A:OOE401 2.9 37.9 0.5 H15 A:OOE401 3.3 47.4 0.5 N6 A:OOE401 3.6 43.3 0.5 P A:OOE401 3.9 37.3 0.5 O A:OOE401 4.0 40.2 0.5 C11 A:OOE401 4.2 42.7 0.5 N5 A:OOE401 4.3 47.3 0.5 C19 A:OOE401 4.4 39.8 0.5 O3 A:OOE401 4.7 38.5 0.5 C14 A:OOE401 4.7 45.8 0.5 H191 A:OOE401 4.7 48.0 0.5 H192 A:OOE401 4.9 48.0 0.5 H14 A:OOE401 4.9 55.1 0.5 O A:HOH502 5.0 28.8 1.0

Fluorine binding site 2 out of 2 in the Human Wtsting in Complex with 2',2'-Difluoro-3',3'-Cgamp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Wtsting in Complex with 2',2'-Difluoro-3',3'-Cgamp within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:40.4 occ:0.50 F9 A:OOE401 0.0 40.4 0.5 C6 A:OOE401 1.4 42.4 0.5 H6 A:OOE401 2.0 51.0 0.5 C5 A:OOE401 2.3 39.5 0.5 C7 A:OOE401 2.4 44.1 0.5 H7 A:OOE401 2.6 53.1 0.5 O10 A:OOE401 2.7 43.5 0.5 H8 A:OOE401 2.8 47.1 0.5 C8 A:OOE401 2.9 39.1 0.5 O1 A:OOE401 2.9 37.9 0.5 CD A:PRO264 3.0 33.2 1.0 H5 A:OOE401 3.3 47.6 0.5 CG A:PRO264 3.3 35.8 1.0 CB A:THR263 3.3 48.4 1.0 CD1 A:TYR163 3.4 36.3 1.0 N2 A:OOE401 3.6 44.2 0.5 CE1 A:TYR163 3.6 47.7 1.0 OG1 A:THR263 3.7 49.2 1.0 N A:PRO264 3.9 34.9 1.0 P1 A:OOE401 3.9 37.1 0.5 O22 A:OOE401 4.0 39.2 0.5 C1 A:OOE401 4.2 42.8 0.5 N1 A:OOE401 4.2 47.1 0.5 CA A:THR263 4.2 38.5 1.0 CG2 A:THR263 4.3 39.4 1.0 N A:THR263 4.4 41.0 1.0 C9 A:OOE401 4.4 39.3 0.5 C A:THR263 4.4 45.8 1.0 CG A:TYR163 4.6 43.5 1.0 O4 A:OOE401 4.6 38.4 0.5 CB A:PRO264 4.7 33.0 1.0 C4 A:OOE401 4.7 45.6 0.5 H92 A:OOE401 4.7 47.3 0.5 CA A:PRO264 4.8 42.0 1.0 H91 A:OOE401 4.9 47.3 0.5 H4 A:OOE401 5.0 54.9 0.5 CZ A:TYR163 5.0 45.0 1.0 CA A:TYR163 5.0 31.5 1.0

E.Boura, M.Smola. Human Wtsting in Complex with 2',2'-Difluoro-3',3'-Cgamp To Be Published.