Fluorine in PDB 6sc9: DAB3/Hoip-Rbr-Hoipin-8

All present enzymatic activity of DAB3/Hoip-Rbr-Hoipin-8:
2.3.2.31;

The structure of DAB3/Hoip-Rbr-Hoipin-8, PDB code: 6sc9 was solved by Y.-C.I.Tsai, H.Johansson, D.House, K.Rittinger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	81.90 / 2.47
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.127, 87.052, 241.538, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 25.2

The structure of DAB3/Hoip-Rbr-Hoipin-8 also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Zinc	(Zn)	8 atoms

The binding sites of Fluorine atom in the DAB3/Hoip-Rbr-Hoipin-8 (pdb code 6sc9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the DAB3/Hoip-Rbr-Hoipin-8, PDB code: 6sc9:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the DAB3/Hoip-Rbr-Hoipin-8


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of DAB3/Hoip-Rbr-Hoipin-8 within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:76.1 occ:1.00 F26 A:L682001 0.0 76.1 1.0 C21 A:L682001 1.3 73.5 1.0 C22 A:L682001 2.4 71.7 1.0 C19 A:L682001 2.5 71.7 1.0 C16 A:L682001 2.9 73.5 1.0 C15 A:L682001 3.3 64.6 1.0 C14 A:L682001 3.6 80.7 1.0 CB A:CYS885 3.6 78.0 1.0 C23 A:L682001 3.7 62.7 1.0 O20 A:L682001 3.7 83.8 1.0 C25 A:L682001 3.8 62.2 1.0 CA A:CYS885 4.1 68.5 1.0 C24 A:L682001 4.2 67.6 1.0 O A:GLY884 4.2 61.4 1.0 N A:CYS885 4.3 62.5 1.0 C A:GLY884 4.3 66.0 1.0 SG A:CYS885 4.5 79.8 1.0 O18 A:L682001 4.8 60.9 1.0 C28 A:L682001 4.9 66.3 1.0 F27 A:L682001 4.9 89.5 1.0

Fluorine binding site 2 out of 2 in the DAB3/Hoip-Rbr-Hoipin-8


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of DAB3/Hoip-Rbr-Hoipin-8 within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:89.5 occ:1.00 F27 A:L682001 0.0 89.5 1.0 C25 A:L682001 1.3 62.2 1.0 C24 A:L682001 2.4 67.6 1.0 C19 A:L682001 2.5 71.7 1.0 C16 A:L682001 2.9 73.5 1.0 O20 A:L682001 3.2 83.8 1.0 C23 A:L682001 3.7 62.7 1.0 C21 A:L682001 3.8 73.5 1.0 C09 A:L682001 3.8 71.3 1.0 C10 A:L682001 3.8 58.9 1.0 O17 A:L682001 3.9 55.8 1.0 C15 A:L682001 3.9 64.6 1.0 C14 A:L682001 3.9 80.7 1.0 C13 A:L682001 4.0 68.6 1.0 C22 A:L682001 4.2 71.7 1.0 C08 A:L682001 4.4 64.9 1.0 C11 A:L682001 4.4 61.1 1.0 O18 A:L682001 4.7 60.9 1.0 C28 A:L682001 4.9 66.3 1.0 F26 A:L682001 4.9 76.1 1.0 C07 A:L682001 4.9 74.6 1.0 C12 A:L682001 5.0 73.8 1.0

Y.-C.I.Tsai, D.House, K.Rittinger. DAB3/Hoip-Rbr Apo Structure Cell Chem Biol 2019.
ISSN: ESSN 2451-9456