Fluorine in PDB 8hxf: Crystal Structure of Athppd-Y181188 Complex

All present enzymatic activity of Crystal Structure of Athppd-Y181188 Complex:
1.13.11.27;

The structure of Crystal Structure of Athppd-Y181188 Complex, PDB code: 8hxf was solved by J.Dong, H.-Y.Lin, G.-F.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.09 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	76.745, 83.95, 62.157, 90, 99.91, 90
R / Rfree (%)	17.6 / 19.7

The structure of Crystal Structure of Athppd-Y181188 Complex also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of Athppd-Y181188 Complex (pdb code 8hxf). 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 Athppd-Y181188 Complex, PDB code: 8hxf:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Athppd-Y181188 Complex


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 Athppd-Y181188 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:53.9 occ:1.00 F30 A:T5R502 0.0 53.9 1.0 C29 A:T5R502 1.4 47.6 1.0 F31 A:T5R502 2.2 50.5 1.0 F32 A:T5R502 2.2 51.1 1.0 C26 A:T5R502 2.4 47.0 1.0 C27 A:T5R502 2.7 48.7 1.0 O A:HOH787 2.8 41.7 1.0 CB A:GLN293 3.0 35.9 1.0 NE2 A:GLN293 3.1 49.9 1.0 C25 A:T5R502 3.6 45.7 1.0 CD A:GLN293 3.7 51.5 1.0 CG A:GLN293 3.8 41.8 1.0 CA A:GLN293 3.9 32.8 1.0 N A:GLN293 3.9 30.6 1.0 C28 A:T5R502 4.1 47.5 1.0 C A:GLN293 4.4 29.2 1.0 N A:ILE294 4.6 29.4 1.0 OE1 A:GLN293 4.6 54.7 1.0 O A:SER263 4.7 46.4 1.0 C24 A:T5R502 4.7 44.5 1.0 C22 A:T5R502 5.0 39.5 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of Athppd-Y181188 Complex


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 Athppd-Y181188 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:50.5 occ:1.00 F31 A:T5R502 0.0 50.5 1.0 C29 A:T5R502 1.4 47.6 1.0 F32 A:T5R502 2.2 51.1 1.0 F30 A:T5R502 2.2 53.9 1.0 C26 A:T5R502 2.4 47.0 1.0 C25 A:T5R502 3.1 45.7 1.0 O A:SER263 3.3 46.4 1.0 C27 A:T5R502 3.4 48.7 1.0 CD2 A:LEU265 3.5 33.0 1.0 O A:HOH787 3.5 41.7 1.0 CG A:LEU265 4.1 33.0 1.0 CE2 A:PHE424 4.3 41.1 1.0 C24 A:T5R502 4.3 44.5 1.0 C A:SER263 4.5 51.2 1.0 CB A:LEU265 4.6 29.9 1.0 CZ A:PHE424 4.6 37.5 1.0 C28 A:T5R502 4.6 47.5 1.0 CD1 A:ILE294 4.7 23.6 1.0 CG1 A:ILE294 4.8 26.5 1.0 C A:GLY264 4.9 34.5 1.0 CB A:GLN293 4.9 35.9 1.0 C22 A:T5R502 5.0 39.5 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of Athppd-Y181188 Complex


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 Athppd-Y181188 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:51.1 occ:1.00 F32 A:T5R502 0.0 51.1 1.0 C29 A:T5R502 1.4 47.6 1.0 F31 A:T5R502 2.2 50.5 1.0 F30 A:T5R502 2.2 53.9 1.0 C26 A:T5R502 2.3 47.0 1.0 C25 A:T5R502 2.8 45.7 1.0 CD1 A:ILE294 3.2 23.6 1.0 C27 A:T5R502 3.5 48.7 1.0 CG1 A:ILE294 3.7 26.5 1.0 CD2 A:LEU265 3.8 33.0 1.0 N A:ILE294 3.9 29.4 1.0 NE2 A:GLN307 4.0 21.0 1.0 CB A:GLN293 4.0 35.9 1.0 C24 A:T5R502 4.1 44.5 1.0 C A:GLN293 4.2 29.2 1.0 O A:HOH802 4.2 25.0 1.0 O A:HOH787 4.4 41.7 1.0 CA A:GLN293 4.5 32.8 1.0 C28 A:T5R502 4.6 47.5 1.0 N A:GLN293 4.6 30.6 1.0 CA A:ILE294 4.7 27.1 1.0 O A:GLN293 4.7 26.9 1.0 CB A:ILE294 4.8 26.8 1.0 CG A:LEU265 4.9 33.0 1.0 C22 A:T5R502 4.9 39.5 1.0

J.Dong, H.-Y.Lin, G.-F.Yang. Crystal Structure of Athppd-Y181188 Complex To Be Published.