Fluorine in PDB 8byo: Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361)

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361), PDB code: 8byo was solved by E.J.Visser, E.M.F.Vandenboorn, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.23 / 1.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.839, 112.354, 62.477, 90, 90, 90
R / Rfree (%)	16.4 / 17.1

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361) also contains other interesting chemical elements:

Magnesium	(Mg)	3 atoms
Chlorine	(Cl)	1 atom

The binding sites of Fluorine atom in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361) (pdb code 8byo). 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 Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361), PDB code: 8byo:

Fluorine binding site 1 out of 1 in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361) within 5.0Å range: probe atom residue distance (Å) B Occ A:F304 b:26.8 occ:1.00 F28 A:U0L304 0.0 26.8 1.0 C27 A:U0L304 1.4 18.1 1.0 C25 A:U0L304 2.4 17.2 1.0 C29 A:U0L304 2.4 19.4 1.0 H291 A:U0L304 2.6 23.2 1.0 CL26 A:U0L304 3.0 24.1 1.0 HE2 A:PHE119 3.1 17.6 1.0 O B:HOH602 3.2 17.2 1.0 O A:HOH606 3.4 16.8 1.0 O A:HOH453 3.6 16.5 1.0 C24 A:U0L304 3.6 20.6 1.0 C22 A:U0L304 3.6 19.2 1.0 HG A:SER45 3.7 16.0 1.0 O A:HOH468 3.7 13.7 1.0 O A:HOH458 3.7 19.4 1.0 OXT B:VAL595 3.8 15.2 1.0 CE2 A:PHE119 3.8 14.6 1.0 HZ3 A:LYS122 4.0 12.2 1.0 OD1 A:ASN42 4.0 12.1 1.0 C23 A:U0L304 4.1 18.5 1.0 HZ A:PHE119 4.2 13.6 1.0 HG22 B:VAL595 4.3 16.2 1.0 H241 A:U0L304 4.4 24.7 1.0 CZ A:PHE119 4.4 11.4 1.0 O A:HOH577 4.4 18.7 1.0 OG A:SER45 4.4 13.3 1.0 HE3 A:LYS122 4.5 11.3 1.0 HZ2 A:LYS122 4.6 12.2 1.0 H031 A:U0L304 4.6 31.1 1.0 HB B:VAL595 4.6 15.8 1.0 NZ A:LYS122 4.6 10.2 1.0 C B:VAL595 4.7 12.1 1.0 CD2 A:PHE119 4.7 12.6 1.0 HD2 A:PHE119 4.7 15.2 1.0 HB2 A:SER45 4.8 11.2 1.0 O21 A:U0L304 4.9 22.4 1.0 O20 A:U0L304 4.9 30.3 1.0 HD3 A:LYS122 4.9 10.6 1.0 C04 A:U0L304 4.9 27.2 1.0 H033 A:U0L304 5.0 31.1 1.0

E.J.Visser, P.Jaishankar, E.Sijbesma, M.A.M.Pennings, E.M.F.Vandenboorn, X.Guillory, R.J.Neitz, J.Morrow, S.Dutta, A.R.Renslo, L.Brunsveld, M.R.Arkin, C.Ottmann. From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions Via Fragment Linking. Angew.Chem.Int.Ed.Engl. 08004 2023.
ISSN: ESSN 1521-3773
PubMed: 37455289
DOI: 10.1002/ANIE.202308004