Fluorine in PDB 8s49: Cdaa-B06 Complex

All present enzymatic activity of Cdaa-B06 Complex:
2.7.7.85;

The structure of Cdaa-B06 Complex, PDB code: 8s49 was solved by P.Neumann, R.Ficner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.71 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.66, 64.75, 129.06, 90, 90, 90
R / Rfree (%)	19.7 / 22.1

The structure of Cdaa-B06 Complex also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Fluorine atom in the Cdaa-B06 Complex (pdb code 8s49). 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 Cdaa-B06 Complex, PDB code: 8s49:

Fluorine binding site 1 out of 1 in the Cdaa-B06 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cdaa-B06 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:56.7 occ:0.89 F B:45Y201 0.0 56.7 0.9 C B:45Y201 1.4 52.8 0.9 C1 B:45Y201 2.3 39.3 0.9 C5 B:45Y201 2.3 36.1 0.9 CD1 B:ILE5 3.4 51.8 1.0 CD2 B:LEU150 3.4 45.4 1.0 C2 B:45Y201 3.6 44.4 0.9 C4 B:45Y201 3.6 46.3 0.9 C3 B:45Y201 4.1 47.9 0.9 ND1 B:HIS10 4.2 53.2 1.0 CE1 B:HIS146 4.3 40.9 1.0 NE2 B:HIS146 4.5 39.0 1.0 CG B:LEU150 4.6 46.2 1.0 CG2 B:ILE5 4.7 48.2 1.0 CG1 B:ILE5 4.8 62.0 1.0 CD1 B:LEU150 4.8 43.5 1.0 CE1 B:HIS10 4.9 45.2 1.0

P.Neumann, R.Ficner. Cdaa-B06 Complex To Be Published.