Fluorine in PDB 6ko5: Complex Structure of Ghrelin Receptor with Fab

The structure of Complex Structure of Ghrelin Receptor with Fab, PDB code: 6ko5 was solved by Y.Shiimura, S.Horita, H.Asada, K.Hirata, S.Iwata, M.Kojima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.42 / 3.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	253.760, 44.750, 94.400, 90.00, 97.26, 90.00
R / Rfree (%)	21.1 / 25.8

The structure of Complex Structure of Ghrelin Receptor with Fab also contains other interesting chemical elements:

Bromine

(Br)

1 atom

The binding sites of Fluorine atom in the Complex Structure of Ghrelin Receptor with Fab (pdb code 6ko5). 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 Complex Structure of Ghrelin Receptor with Fab, PDB code: 6ko5:

Fluorine binding site 1 out of 1 in the Complex Structure of Ghrelin Receptor with Fab


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Complex Structure of Ghrelin Receptor with Fab within 5.0Å range: probe atom residue distance (Å) B Occ A:F1501 b:65.4 occ:1.00 F16 A:8QX1501 0.0 65.4 1.0 C15 A:8QX1501 1.4 66.9 1.0 C09 A:8QX1501 2.4 71.7 1.0 C14 A:8QX1501 2.4 79.0 1.0 O08 A:8QX1501 2.8 85.2 1.0 CE2 A:PHE286 3.3 94.8 1.0 CD2 A:PHE286 3.4 88.8 1.0 C07 A:8QX1501 3.5 79.1 1.0 CD2 A:LEU210 3.6 55.4 1.0 N17 A:8QX1501 3.6 73.4 1.0 C10 A:8QX1501 3.7 68.8 1.0 C12 A:8QX1501 3.7 89.2 1.0 NE A:ARG283 4.1 72.6 1.0 C11 A:8QX1501 4.1 80.0 1.0 CG A:PRO200 4.4 51.8 1.0 CG A:ARG283 4.4 57.0 1.0 CZ A:PHE286 4.5 0.8 1.0 CG2 A:VAL214 4.6 56.8 1.0 CG A:PHE286 4.6 90.0 1.0 C06 A:8QX1501 4.7 77.7 1.0 NH2 A:ARG283 4.8 87.9 1.0 CD A:ARG283 4.8 54.7 1.0 C18 A:8QX1501 4.9 70.5 1.0 CG A:LEU210 4.9 56.8 1.0 CZ A:ARG283 4.9 75.0 1.0

Y.Shiimura, S.Horita, A.Hamamoto, H.Asada, K.Hirata, M.Tanaka, K.Mori, T.Uemura, T.Kobayashi, S.Iwata, M.Kojima. Structure of An Antagonist-Bound Ghrelin Receptor Reveals Possible Ghrelin Recognition Mode. Nat Commun V. 11 4160 2020.
ISSN: ESSN 2041-1723
PubMed: 32814772
DOI: 10.1038/S41467-020-17554-1