Fluorine in PDB 8hj8: Crystal Structure of Barley Exohydrolase Isoform Exoi E220A Mutant in Complex with 2-Deoxy-2-Fluoro-D-Glucopyranosides

The structure of Crystal Structure of Barley Exohydrolase Isoform Exoi E220A Mutant in Complex with 2-Deoxy-2-Fluoro-D-Glucopyranosides, PDB code: 8hj8 was solved by S.Luang, V.A.Streltsov, M.Hrmova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	88.06 / 1.95
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	100.5, 100.5, 182.689, 90, 90, 90
R / Rfree (%)	14.4 / 18.4

The binding sites of Fluorine atom in the Crystal Structure of Barley Exohydrolase Isoform Exoi E220A Mutant in Complex with 2-Deoxy-2-Fluoro-D-Glucopyranosides (pdb code 8hj8). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Barley Exohydrolase Isoform Exoi E220A Mutant in Complex with 2-Deoxy-2-Fluoro-D-Glucopyranosides, PDB code: 8hj8:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Barley Exohydrolase Isoform Exoi E220A Mutant in Complex with 2-Deoxy-2-Fluoro-D-Glucopyranosides


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 Barley Exohydrolase Isoform Exoi E220A Mutant in Complex with 2-Deoxy-2-Fluoro-D-Glucopyranosides within 5.0Å range: probe atom residue distance (Å) B Occ A:F704 b:38.0 occ:1.00 F2 A:G2F704 0.0 38.0 1.0 C2 A:G2F704 1.4 36.8 1.0 C3 A:G2F704 2.4 34.7 1.0 C1 A:G2F704 2.5 38.0 1.0 OD2 A:ASP285 2.5 47.3 1.0 NH1 A:ARG158 2.8 33.6 1.0 O3 A:G2F704 2.9 30.8 1.0 OD1 A:ASP285 3.0 36.6 1.0 CG A:ASP285 3.1 36.1 1.0 O3 A:GOL706 3.5 41.0 0.5 NE2 A:HIS207 3.5 33.0 1.0 O1 A:GOL706 3.5 41.4 0.5 OE1 A:GLU491 3.6 37.1 1.0 O A:HOH801 3.6 28.8 0.5 O5 A:G2F704 3.6 39.7 1.0 C3 A:GOL706 3.7 43.8 0.5 C4 A:G2F704 3.7 34.0 1.0 C1 A:GOL706 3.8 37.0 0.5 CZ A:ARG158 3.8 37.5 1.0 CD2 A:HIS207 3.9 31.2 1.0 O A:HOH802 4.0 31.7 0.5 NH2 A:ARG158 4.0 34.9 1.0 CD A:GLU491 4.1 36.0 1.0 C5 A:G2F704 4.2 34.4 1.0 CE1 A:HIS207 4.3 34.4 1.0 C2 A:GOL706 4.4 44.2 0.5 OE2 A:GLU491 4.4 34.5 1.0 CB A:ASP285 4.5 31.6 1.0 CE2 A:TYR253 4.6 47.9 1.0 O4 A:G2F704 4.8 35.2 1.0 CG A:HIS207 4.9 32.1 1.0 CZ A:TYR253 4.9 46.9 1.0 O1 A:SHG705 4.9 49.1 1.0 CG A:GLU491 4.9 34.7 1.0 CD2 A:TYR253 5.0 47.2 1.0 SD A:MET250 5.0 31.4 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Barley Exohydrolase Isoform Exoi E220A Mutant in Complex with 2-Deoxy-2-Fluoro-D-Glucopyranosides


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 Barley Exohydrolase Isoform Exoi E220A Mutant in Complex with 2-Deoxy-2-Fluoro-D-Glucopyranosides within 5.0Å range: probe atom residue distance (Å) B Occ A:F705 b:39.0 occ:1.00 F2 A:SHG705 0.0 39.0 1.0 C2 A:SHG705 1.4 50.2 1.0 C3 A:SHG705 2.4 47.4 1.0 C1 A:SHG705 2.5 53.0 1.0 O6 A:G2F704 2.7 33.7 1.0 N A:GLY57 2.8 31.5 1.0 O3 A:SHG705 3.0 44.6 1.0 O1 A:SHG705 3.3 49.1 1.0 CA A:GLY56 3.4 30.7 1.0 C A:GLY56 3.6 32.8 1.0 O5 A:SHG705 3.7 44.2 1.0 C4 A:SHG705 3.7 53.0 1.0 CA A:GLY57 3.8 29.7 1.0 CH2 A:TRP430 3.8 29.1 1.0 C6 A:G2F704 3.9 40.6 1.0 CZ3 A:TRP430 4.0 28.1 1.0 OD2 A:ASP95 4.1 28.9 1.0 C5 A:SHG705 4.3 51.1 1.0 CD1 A:TRP434 4.3 29.9 1.0 CE3 A:TRP286 4.4 32.4 1.0 O5 A:G2F704 4.4 39.7 1.0 CZ3 A:TRP286 4.4 32.2 1.0 NE1 A:TRP434 4.4 32.6 1.0 O A:GLY57 4.8 32.1 1.0 C5 A:G2F704 4.8 34.4 1.0 O A:GLY56 4.8 30.4 1.0 CD2 A:TRP286 4.8 27.8 1.0 CG A:TRP434 4.8 31.9 1.0 N A:GLY56 4.8 30.7 1.0 C A:GLY57 4.9 32.5 1.0 O4 A:SHG705 4.9 40.8 1.0 O A:HOH878 4.9 28.7 1.0 CH2 A:TRP286 5.0 32.4 1.0

S.Luang, V.A.Streltsov, M.Hrmova. Crystal Structure of Barley Exohydrolase Isoform Exoi E220A Mutant in Complex with 2-Deoxy-2-Fluoro-D-Glucopyranosides To Be Published.