Fluorine in PDB 6iiu: Crystal Structure of the Human Thromboxane A2 Receptor Bound to Ramatroban

The structure of Crystal Structure of the Human Thromboxane A2 Receptor Bound to Ramatroban, PDB code: 6iiu was solved by H.Fan, Q.Zhao, B.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.53 / 2.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.160, 155.080, 128.130, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 21.8

The structure of Crystal Structure of the Human Thromboxane A2 Receptor Bound to Ramatroban also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of the Human Thromboxane A2 Receptor Bound to Ramatroban (pdb code 6iiu). 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 Human Thromboxane A2 Receptor Bound to Ramatroban, PDB code: 6iiu:

Fluorine binding site 1 out of 1 in the Crystal Structure of the Human Thromboxane A2 Receptor Bound to Ramatroban


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 Human Thromboxane A2 Receptor Bound to Ramatroban within 5.0Å range: probe atom residue distance (Å) B Occ A:F9001 b:56.8 occ:1.00 F A:A8X9001 0.0 56.8 1.0 C16 A:A8X9001 1.3 51.8 1.0 C15 A:A8X9001 2.3 48.6 1.0 C17 A:A8X9001 2.4 50.2 1.0 CH2 A:TRP258 3.2 62.3 1.0 O A:MET112 3.4 50.4 1.0 C14 A:A8X9001 3.6 47.9 1.0 C18 A:A8X9001 3.6 47.2 1.0 CE A:MET112 3.8 57.6 1.0 CZ3 A:TRP258 4.0 62.2 1.0 C13 A:A8X9001 4.1 48.8 1.0 CA A:GLY116 4.1 54.5 1.0 CZ2 A:TRP258 4.1 60.9 1.0 CD1 A:LEU294 4.2 54.4 1.0 CE1 A:PHE184 4.2 51.9 1.0 C A:MET112 4.3 51.3 1.0 SD A:MET112 4.5 59.7 1.0 CB A:MET112 4.7 49.1 1.0 N A:GLY116 4.7 53.7 1.0 CZ A:PHE184 4.7 51.2 1.0 CA A:MET112 4.7 46.5 1.0 CZ A:PHE200 5.0 54.3 1.0 CD1 A:PHE184 5.0 52.1 1.0

H.Fan, S.Chen, X.Yuan, S.Han, H.Zhang, W.Xia, Y.Xu, Q.Zhao, B.Wu. Structural Basis For Ligand Recognition of the Human Thromboxane A2RECEPTOR. Nat. Chem. Biol. V. 15 27 2019.
ISSN: ESSN 1552-4469
PubMed: 30510189
DOI: 10.1038/S41589-018-0170-9