Fluorine in PDB 6xk0: Albumin-Dexamethasone Complex

The structure of Albumin-Dexamethasone Complex, PDB code: 6xk0 was solved by M.P.Czub, K.A.Majorek, I.G.Shabalin, W.Minor, New York Structuralgenomics Research Consortium (Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.54 / 2.40
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	94.983, 94.983, 143.591, 90.00, 90.00, 120.00
R / Rfree (%)	20.3 / 24.9

The binding sites of Fluorine atom in the Albumin-Dexamethasone Complex (pdb code 6xk0). 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 Albumin-Dexamethasone Complex, PDB code: 6xk0:

Fluorine binding site 1 out of 1 in the Albumin-Dexamethasone Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Albumin-Dexamethasone Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:0.3 occ:1.00 F1 A:DEX601 0.0 0.3 1.0 C9 A:DEX601 1.4 1.0 1.0 C11 A:DEX601 2.3 97.7 1.0 C10 A:DEX601 2.4 0.7 1.0 C8 A:DEX601 2.4 91.3 1.0 C5 A:DEX601 2.7 0.7 1.0 C7 A:DEX601 2.8 83.0 1.0 C14 A:DEX601 2.8 85.0 1.0 C1 A:DEX601 2.9 96.4 1.0 C12 A:DEX601 2.9 90.1 1.0 CB A:ALA212 3.0 31.3 1.0 C4 A:DEX601 3.2 93.2 1.0 C6 A:DEX601 3.3 88.7 1.0 C2 A:DEX601 3.4 92.7 1.0 C13 A:DEX601 3.5 85.1 1.0 O2 A:DEX601 3.6 84.3 1.0 C3 A:DEX601 3.6 95.0 1.0 C19 A:DEX601 3.8 0.8 1.0 C15 A:DEX601 4.2 71.6 1.0 O3 A:DEX601 4.3 73.3 1.0 CA A:ALA212 4.4 28.5 1.0 CD2 A:LEU346 4.5 31.4 1.0 C17 A:DEX601 4.5 82.4 1.0 O1 A:DEX601 4.6 96.2 1.0 C18 A:DEX601 4.6 89.3 1.0 O A:ARG208 4.7 42.8 1.0 C16 A:DEX601 5.0 69.3 1.0

I.G.Shabalin, M.P.Czub, K.A.Majorek, D.Brzezinski, M.Grabowski, D.R.Cooper, M.Panasiuk, M.Chruszcz, W.Minor. Molecular Determinants of Vascular Transport of Dexamethasone in Covid-19 Therapy. Iucrj V. 7 2020.
ISSN: ESSN 2052-2525
PubMed: 33063792
DOI: 10.1107/S2052252520012944