Fluorine in PDB 8hys: Crystal Structure of Athppd-Y19802 Complex

All present enzymatic activity of Crystal Structure of Athppd-Y19802 Complex:
1.13.11.27;

The structure of Crystal Structure of Athppd-Y19802 Complex, PDB code: 8hys 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)	28.13 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	77.039, 83.931, 62.417, 90, 100.32, 90
R / Rfree (%)	17.9 / 20.2

The structure of Crystal Structure of Athppd-Y19802 Complex also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of Athppd-Y19802 Complex (pdb code 8hys). 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-Y19802 Complex, PDB code: 8hys:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Athppd-Y19802 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-Y19802 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:53.5 occ:1.00 F32 A:O1O502 0.0 53.5 1.0 C31 A:O1O502 1.4 57.0 1.0 F33 A:O1O502 2.2 64.4 1.0 F34 A:O1O502 2.2 59.6 1.0 C21 A:O1O502 2.4 51.6 1.0 O A:HOH882 2.9 39.8 1.0 OE1 A:GLN293 3.0 51.6 1.0 C20 A:O1O502 3.0 49.8 1.0 N22 A:O1O502 3.3 47.6 1.0 CD A:GLN293 3.7 49.2 1.0 C26 A:O1O502 3.8 43.6 1.0 CB A:GLN293 3.9 36.5 1.0 O A:HOH715 4.0 30.5 1.0 CG A:GLN293 4.0 44.9 1.0 O A:HOH750 4.0 29.3 1.0 CE1 A:PHE392 4.0 23.1 1.0 C19 A:O1O502 4.2 48.3 1.0 CZ A:PHE392 4.3 25.3 1.0 C23 A:O1O502 4.5 44.1 1.0 O A:HOH886 4.6 43.9 1.0 O A:HOH726 4.7 34.1 1.0 NE2 A:GLN293 4.7 46.1 1.0 O A:HOH745 4.7 32.2 1.0 CD1 A:PHE392 4.8 22.7 1.0 NE2 A:GLN307 4.8 27.8 1.0 N18 A:O1O502 4.9 46.7 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of Athppd-Y19802 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-Y19802 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:64.4 occ:1.00 F33 A:O1O502 0.0 64.4 1.0 C31 A:O1O502 1.4 57.0 1.0 F34 A:O1O502 2.2 59.6 1.0 F32 A:O1O502 2.2 53.5 1.0 C21 A:O1O502 2.4 51.6 1.0 C20 A:O1O502 2.7 49.8 1.0 CG A:GLN293 3.1 44.9 1.0 CD A:GLN293 3.3 49.2 1.0 CB A:GLN293 3.4 36.5 1.0 OE1 A:GLN293 3.4 51.6 1.0 N22 A:O1O502 3.6 47.6 1.0 C19 A:O1O502 4.0 48.3 1.0 NE2 A:GLN293 4.1 46.1 1.0 C26 A:O1O502 4.2 43.6 1.0 C23 A:O1O502 4.6 44.1 1.0 O A:HOH882 4.6 39.8 1.0 O25 A:O1O502 4.7 51.0 1.0 N18 A:O1O502 4.8 46.7 1.0 CA A:GLN293 4.9 33.6 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of Athppd-Y19802 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-Y19802 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:59.6 occ:1.00 F34 A:O1O502 0.0 59.6 1.0 C31 A:O1O502 1.4 57.0 1.0 F33 A:O1O502 2.2 64.4 1.0 F32 A:O1O502 2.2 53.5 1.0 C21 A:O1O502 2.5 51.6 1.0 C26 A:O1O502 2.8 43.6 1.0 N22 A:O1O502 3.0 47.6 1.0 O A:HOH882 3.2 39.8 1.0 CE A:MET335 3.6 41.0 1.0 C20 A:O1O502 3.6 49.8 1.0 O A:HOH726 4.0 34.1 1.0 O A:HOH886 4.2 43.9 1.0 C23 A:O1O502 4.3 44.1 1.0 SD A:MET335 4.5 37.0 1.0 C19 A:O1O502 4.8 48.3 1.0 OE1 A:GLN293 4.9 51.6 1.0

J.Dong, H.-Y.Lin, G.-F.Yang. Crystal Structure of Athppd-Y19802 Complex To Be Published.