Fluorine in PDB 5zht: Crystal Structure of OSD14 in Complex with Covalently Bound KK073

The structure of Crystal Structure of OSD14 in Complex with Covalently Bound KK073, PDB code: 5zht was solved by K.Hirabayashi, T.Miyakawa, M.Tanokura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.72 / 1.53
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	49.349, 49.349, 192.469, 90.00, 90.00, 120.00
R / Rfree (%)	19.5 / 22.1

The binding sites of Fluorine atom in the Crystal Structure of OSD14 in Complex with Covalently Bound KK073 (pdb code 5zht). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of OSD14 in Complex with Covalently Bound KK073, PDB code: 5zht:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of OSD14 in Complex with Covalently Bound KK073


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of OSD14 in Complex with Covalently Bound KK073 within 5.0Å range: probe atom residue distance (Å) B Occ A:F500 b:29.1 occ:1.00 FAQ A:9GU500 0.0 29.1 1.0 CAO A:9GU500 1.3 25.1 1.0 FAP A:9GU500 2.1 25.7 1.0 FAR A:9GU500 2.1 27.2 1.0 CAC A:9GU500 2.4 19.8 1.0 CAB A:9GU500 2.9 23.4 1.0 CG2 A:VAL194 3.1 29.6 1.0 CG1 A:VAL194 3.4 25.1 1.0 CAD A:9GU500 3.5 24.4 1.0 CZ A:PHE186 3.6 29.0 1.0 CE1 A:PHE186 3.7 29.2 1.0 CD1 A:ILE191 3.8 21.0 1.0 CB A:VAL194 3.8 25.0 1.0 O A:HOH826 4.0 41.8 1.0 CAA A:9GU500 4.2 21.0 1.0 CE2 A:PHE186 4.6 31.3 1.0 CAE A:9GU500 4.7 21.2 1.0 CD1 A:PHE186 4.7 25.9 1.0 NE1 A:TRP205 5.0 23.0 1.0 CAF A:9GU500 5.0 19.2 1.0 CD1 A:TYR209 5.0 19.8 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of OSD14 in Complex with Covalently Bound KK073


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of OSD14 in Complex with Covalently Bound KK073 within 5.0Å range: probe atom residue distance (Å) B Occ A:F500 b:27.2 occ:1.00 FAR A:9GU500 0.0 27.2 1.0 CAO A:9GU500 1.4 25.1 1.0 FAP A:9GU500 2.1 25.7 1.0 FAQ A:9GU500 2.1 29.1 1.0 CAC A:9GU500 2.4 19.8 1.0 CAD A:9GU500 2.8 24.4 1.0 O A:HOH826 3.2 41.8 1.0 NE1 A:TRP205 3.3 23.0 1.0 CD1 A:TYR209 3.4 19.8 1.0 CG1 A:VAL194 3.4 25.1 1.0 CAB A:9GU500 3.6 23.4 1.0 CZ2 A:TRP205 3.6 24.0 1.0 CE2 A:TRP205 3.8 24.0 1.0 CE1 A:TYR209 3.8 20.3 1.0 CG A:TYR209 3.9 21.7 1.0 CAE A:9GU500 4.2 21.2 1.0 CG2 A:VAL194 4.3 29.6 1.0 CB A:TYR209 4.3 19.6 1.0 CB A:VAL194 4.5 25.0 1.0 CD1 A:TRP205 4.5 25.2 1.0 CZ A:TYR209 4.6 19.8 1.0 CD2 A:TYR209 4.6 19.1 1.0 CAA A:9GU500 4.8 21.0 1.0 CH2 A:TRP205 4.9 23.7 1.0 CE2 A:TYR209 5.0 18.3 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of OSD14 in Complex with Covalently Bound KK073


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of OSD14 in Complex with Covalently Bound KK073 within 5.0Å range: probe atom residue distance (Å) B Occ A:F500 b:25.7 occ:1.00 FAP A:9GU500 0.0 25.7 1.0 CAO A:9GU500 1.4 25.1 1.0 FAQ A:9GU500 2.1 29.1 1.0 FAR A:9GU500 2.1 27.2 1.0 CAC A:9GU500 2.4 19.8 1.0 CAB A:9GU500 3.0 23.4 1.0 CD1 A:TYR209 3.3 19.8 1.0 CE1 A:TYR209 3.4 20.3 1.0 CAD A:9GU500 3.4 24.4 1.0 O A:HOH826 3.7 41.8 1.0 CZ A:PHE186 4.1 29.0 1.0 CAA A:9GU500 4.2 21.0 1.0 CG A:TYR209 4.4 21.7 1.0 CZ A:TYR209 4.5 19.8 1.0 CAE A:9GU500 4.6 21.2 1.0 CE1 A:PHE186 4.7 29.2 1.0 CE2 A:PHE186 4.9 31.3 1.0 CG2 A:VAL194 4.9 29.6 1.0 CAF A:9GU500 4.9 19.2 1.0 CB A:TYR209 5.0 19.6 1.0

H.Nakamura, K.Hirabayashi, T.Miyakawa, K.Kikuzato, W.Hu, Y.Xu, K.Jiang, I.Takahashi, R.Niiyama, N.Dohmae, M.Tanokura, T.Asami. Triazole Ureas Covalently Bind to Strigolactone Receptor and Antagonize Strigolactone Responses. Mol Plant V. 12 44 2019.
ISSN: ESSN 1752-9867
PubMed: 30391752
DOI: 10.1016/J.MOLP.2018.10.006