Fluorine in PDB 6u2p: PCSK9 in Complex with Compound 5

The structure of PCSK9 in Complex with Compound 5, PDB code: 6u2p was solved by J.Lu, S.Soisson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.42 / 2.04
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.851, 70.647, 149.345, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21.6

The binding sites of Fluorine atom in the PCSK9 in Complex with Compound 5 (pdb code 6u2p). 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 5, PDB code: 6u2p:

Fluorine binding site 1 out of 1 in the PCSK9 in Complex with Compound 5


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 5 within 5.0Å range: probe atom residue distance (Å) B Occ B:F804 b:29.8 occ:1.00 F B:PUV804 0.0 29.8 1.0 C24 B:PUV804 1.3 26.9 1.0 C25 B:PUV804 2.3 25.2 1.0 C23 B:PUV804 2.4 26.5 1.0 O28 B:PUV804 2.6 31.4 1.0 C26 B:PUV804 2.9 30.4 1.0 N B:ARG476 3.1 26.5 1.0 CA B:ALA475 3.3 27.8 1.0 O B:ILE474 3.5 33.1 1.0 C20 B:PUV804 3.6 23.6 1.0 C22 B:PUV804 3.6 25.8 1.0 C B:ALA475 3.7 30.8 1.0 O B:ARG476 3.8 28.6 1.0 O B:HOH1011 4.0 36.0 1.0 C21 B:PUV804 4.1 22.0 1.0 O27 B:PUV804 4.1 32.9 1.0 CG1 B:VAL460 4.1 24.7 1.0 CB B:ALA475 4.2 28.1 1.0 CA B:ARG476 4.2 26.9 1.0 N B:ALA475 4.3 29.1 1.0 C B:ILE474 4.3 35.3 1.0 CA B:SER462 4.4 22.4 1.0 C B:ARG476 4.4 30.6 1.0 CB B:ARG476 4.5 27.7 1.0 O B:TRP461 4.6 24.7 1.0 O19 B:PUV804 4.7 23.4 1.0 CB B:SER462 4.8 23.4 1.0 CG B:ARG476 4.8 35.5 1.0 C16 B:PUV804 4.8 27.1 1.0 O B:HOH1028 4.8 41.4 1.0 N B:SER462 4.9 23.1 1.0 O B:ALA475 5.0 30.1 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