Fluorine in PDB 6u26: PCSK9 in Complex with Compound 16

The structure of PCSK9 in Complex with Compound 16, PDB code: 6u26 was solved by P.Orth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.12 / 1.53
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.680, 70.920, 150.120, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 21.3

The binding sites of Fluorine atom in the PCSK9 in Complex with Compound 16 (pdb code 6u26). 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 PCSK9 in Complex with Compound 16, PDB code: 6u26:

Fluorine binding site 1 out of 1 in the PCSK9 in Complex with Compound 16


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of PCSK9 in Complex with Compound 16 within 5.0Å range: probe atom residue distance (Å) B Occ B:F801 b:20.1 occ:1.00 F8 B:063801 0.0 20.1 1.0 C36 B:063801 1.3 16.9 1.0 C37 B:063801 2.3 16.6 1.0 C35 B:063801 2.4 15.4 1.0 C42 B:063801 2.9 19.2 1.0 C38 B:063801 2.9 18.1 1.0 N B:ARG476 3.2 17.6 1.0 CA B:ALA475 3.3 17.3 1.0 O B:ILE474 3.4 21.8 1.0 C32 B:063801 3.6 17.1 1.0 C34 B:063801 3.6 16.1 1.0 O B:ARG476 3.7 17.4 1.0 C B:ALA475 3.8 21.1 1.0 O B:HOH1019 3.9 28.0 1.0 CB B:ALA475 4.0 18.0 1.0 CG1 B:VAL460 4.0 20.1 1.0 C33 B:063801 4.1 14.6 1.0 CA B:SER462 4.1 16.1 1.0 C43 B:063801 4.2 21.5 1.0 C46 B:063801 4.2 20.4 1.0 C B:ILE474 4.2 22.6 1.0 N B:ALA475 4.2 18.8 1.0 CA B:ARG476 4.3 16.8 1.0 O B:TRP461 4.4 17.8 1.0 C B:ARG476 4.5 18.2 1.0 CB B:SER462 4.6 14.8 1.0 N B:SER462 4.7 16.9 1.0 O6 B:063801 4.7 16.9 1.0 CB B:ARG476 4.7 18.6 1.0 C B:TRP461 4.8 18.4 1.0 C41 B:063801 4.9 33.1 1.0 O B:ALA475 5.0 19.7 1.0 C31 B:063801 5.0 17.7 1.0

W.L.Petrilli, G.C.Adam, R.S.Erdmann, P.Abeywickrema, V.Agnani, X.Ai, J.Baysarowich, N.Byrne, J.P.Caldwell, W.Chang, E.Dinunzio, Z.Feng, R.Ford, S.Ha, Y.Huang, B.Hubbard, J.M.Johnston, M.Kavana, J.M.Lisnock, R.Liang, J.Lu, Z.Lu, J.Meng, P.Orth, O.Palyha, G.Parthasarathy, S.P.Salowe, S.Sharma, J.Shipman, S.M.Soisson, A.M.Strack, H.Youm, K.Zhao, D.L.Zink, H.Zokian, G.H.Addona, K.Akinsanya, J.R.Tata, Y.Xiong, J.E.Imbriglio. From Screening to Targeted Degradation: Strategies For the Discovery and Optimization of Small Molecule Ligands For PCSK9. Cell Chem Biol 2019.
ISSN: ESSN 2451-9456
PubMed: 31653597
DOI: 10.1016/J.CHEMBIOL.2019.10.002