Fluorine in PDB 6gfx: Pvhl:Elob:Eloc in Complex with Modified Hif-1A Codd Peptide Containing (3R,4S)-3-Fluoro-4-Hydroxyproline (Ligand 13A)

The structure of Pvhl:Elob:Eloc in Complex with Modified Hif-1A Codd Peptide Containing (3R,4S)-3-Fluoro-4-Hydroxyproline (Ligand 13A), PDB code: 6gfx was solved by G.V.Castro, A.Testa, A.Ciulli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.33 / 1.83
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	59.258, 59.258, 245.337, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21.2

The binding sites of Fluorine atom in the Pvhl:Elob:Eloc in Complex with Modified Hif-1A Codd Peptide Containing (3R,4S)-3-Fluoro-4-Hydroxyproline (Ligand 13A) (pdb code 6gfx). 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 Pvhl:Elob:Eloc in Complex with Modified Hif-1A Codd Peptide Containing (3R,4S)-3-Fluoro-4-Hydroxyproline (Ligand 13A), PDB code: 6gfx:

Fluorine binding site 1 out of 1 in the Pvhl:Elob:Eloc in Complex with Modified Hif-1A Codd Peptide Containing (3R,4S)-3-Fluoro-4-Hydroxyproline (Ligand 13A)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pvhl:Elob:Eloc in Complex with Modified Hif-1A Codd Peptide Containing (3R,4S)-3-Fluoro-4-Hydroxyproline (Ligand 13A) within 5.0Å range: probe atom residue distance (Å) B Occ D:F564 b:24.3 occ:1.00 FAG D:EX8564 0.0 24.3 1.0 CB D:EX8564 1.3 25.7 1.0 CG D:EX8564 2.3 24.6 1.0 CA D:EX8564 2.4 27.0 1.0 OD2 D:EX8564 2.7 24.5 1.0 C D:EX8564 3.1 26.8 1.0 CZ2 C:TRP117 3.2 23.3 1.0 O C:HIS110 3.3 26.9 1.0 N D:TYR565 3.4 26.5 1.0 CA C:SER111 3.4 24.4 1.0 OG C:SER111 3.5 23.8 1.0 CB C:SER111 3.5 22.4 1.0 N D:EX8564 3.5 28.8 1.0 CD1 D:EX8564 3.5 27.9 1.0 CG2 C:ILE109 3.6 29.1 1.0 C C:HIS110 3.9 26.5 1.0 CH2 C:TRP117 3.9 23.1 1.0 N C:SER111 3.9 26.7 1.0 O D:EX8564 4.1 28.0 1.0 CE2 C:TRP117 4.3 23.0 1.0 O D:TYR565 4.6 30.2 1.0 CA D:TYR565 4.6 28.9 1.0 NE1 C:TRP117 4.7 22.7 1.0 C D:ALA563 4.7 29.8 1.0 CE2 C:TYR98 4.7 27.7 1.0 C C:SER111 4.7 28.6 1.0 OH C:TYR98 4.8 30.7 1.0 CZ C:TYR98 4.8 27.8 1.0 C D:TYR565 4.9 30.5 1.0 N C:HIS110 5.0 27.7 1.0

A.Testa, X.Lucas, G.V.Castro, K.H.Chan, J.E.Wright, A.C.Runcie, M.S.Gadd, W.T.A.Harrison, E.J.Ko, D.Fletcher, A.Ciulli. 3-Fluoro-4-Hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition By the Vhl E3 Ubiquitin Ligase For Targeted Protein Degradation. J. Am. Chem. Soc. V. 140 9299 2018.
ISSN: ESSN 1520-5126
PubMed: 29949369
DOI: 10.1021/JACS.8B05807