Fluorine in PDB 6d27: Crystal Structure of the Prostaglandin D2 Receptor CRTH2 with CAY10471

The structure of Crystal Structure of the Prostaglandin D2 Receptor CRTH2 with CAY10471, PDB code: 6d27 was solved by L.Wang, D.Yao, K.Deepak, H.Liu, W.Gong, H.Fan, Z.Wei, C.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.74
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.175, 62.636, 272.215, 90.00, 90.00, 90.00
R / Rfree (%)	24.2 / 28

The binding sites of Fluorine atom in the Crystal Structure of the Prostaglandin D2 Receptor CRTH2 with CAY10471 (pdb code 6d27). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of the Prostaglandin D2 Receptor CRTH2 with CAY10471, PDB code: 6d27:

Fluorine binding site 1 out of 1 in the Crystal Structure of the Prostaglandin D2 Receptor CRTH2 with CAY10471


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 Prostaglandin D2 Receptor CRTH2 with CAY10471 within 5.0Å range: probe atom residue distance (Å) B Occ A:F2408 b:90.0 occ:1.00 F28 A:FT42408 0.0 90.0 1.0 C27 A:FT42408 1.4 72.0 1.0 C29 A:FT42408 2.4 58.5 1.0 C26 A:FT42408 2.4 69.2 1.0 CD1 A:TRP2283 3.6 0.9 1.0 C25 A:FT42408 3.7 61.0 1.0 C30 A:FT42408 3.7 62.3 1.0 CD2 A:LEU2286 3.7 70.5 1.0 CG1 A:VAL2282 4.1 88.1 1.0 C24 A:FT42408 4.1 59.0 1.0 SD A:MET17 4.2 0.8 1.0 CA A:TRP2283 4.2 0.4 1.0 O A:VAL2282 4.3 92.9 1.0 CB A:LEU2286 4.3 83.4 1.0 NE1 A:TRP2283 4.4 0.7 1.0 CG A:LEU2286 4.5 79.7 1.0 CE A:MET17 4.5 91.5 1.0 OH A:TYR183 4.6 88.4 1.0 C A:VAL2282 4.6 94.7 1.0 CG A:TRP2283 4.6 0.5 1.0 N A:TRP2283 4.6 0.7 1.0 OE1 A:GLU2269 4.6 0.3 1.0 CB A:TRP2283 4.9 0.4 1.0 CZ A:TYR183 4.9 87.7 1.0

L.Wang, D.Yao, R.N.V.K.Deepak, H.Liu, Q.Xiao, H.Fan, W.Gong, Z.Wei, C.Zhang. Structures of the Human PGD2RECEPTOR CRTH2 Reveal Novel Mechanisms For Ligand Recognition. Mol. Cell V. 72 48 2018.
ISSN: ISSN 1097-4164
PubMed: 30220562
DOI: 10.1016/J.MOLCEL.2018.08.009