Fluorine in PDB 1uwr: Structure of Beta-Glycosidase From Sulfolobus Solfataricus in Complex with 2-Deoxy-2-Fluoro-Galactose

All present enzymatic activity of Structure of Beta-Glycosidase From Sulfolobus Solfataricus in Complex with 2-Deoxy-2-Fluoro-Galactose:
3.2.1.23;

The structure of Structure of Beta-Glycosidase From Sulfolobus Solfataricus in Complex with 2-Deoxy-2-Fluoro-Galactose, PDB code: 1uwr was solved by T.M.Gloster, S.Roberts, V.M.-A.Ducros, G.Perugino, M.Rossi, R.Hoos, M.Moracci, A.Vasella, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	141.42 / 2.14
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	168.059, 168.059, 95.773, 90.00, 90.00, 120.00
R / Rfree (%)	19 / 23.1

The binding sites of Fluorine atom in the Structure of Beta-Glycosidase From Sulfolobus Solfataricus in Complex with 2-Deoxy-2-Fluoro-Galactose (pdb code 1uwr). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structure of Beta-Glycosidase From Sulfolobus Solfataricus in Complex with 2-Deoxy-2-Fluoro-Galactose, PDB code: 1uwr:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Structure of Beta-Glycosidase From Sulfolobus Solfataricus in Complex with 2-Deoxy-2-Fluoro-Galactose


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Beta-Glycosidase From Sulfolobus Solfataricus in Complex with 2-Deoxy-2-Fluoro-Galactose within 5.0Å range: probe atom residue distance (Å) B Occ A:F1490 b:38.7 occ:1.00 F2 A:GAF1490 0.0 38.7 1.0 C2 A:GAF1490 1.4 40.3 1.0 C3 A:GAF1490 2.4 38.7 1.0 C1 A:GAF1490 2.4 40.2 1.0 O3 A:GAF1490 2.7 35.0 1.0 OE2 A:GLU387 2.8 41.4 1.0 O A:HOH2150 2.8 43.6 1.0 ND2 A:ASN205 2.9 35.9 1.0 NE2 A:HIS150 3.2 35.9 1.0 OE1 A:GLU206 3.3 45.1 1.0 CD A:GLU206 3.4 44.2 1.0 OD1 A:ASN205 3.6 36.3 1.0 OE2 A:GLU206 3.6 42.0 1.0 CE1 A:HIS150 3.6 32.5 1.0 CG A:ASN205 3.6 38.8 1.0 O5 A:GAF1490 3.7 40.1 1.0 C4 A:GAF1490 3.7 39.3 1.0 CD A:GLU387 3.8 43.3 1.0 CZ2 A:TRP151 3.9 38.6 1.0 CG A:GLU206 4.0 39.4 1.0 O4 A:GAF1490 4.1 37.7 1.0 OE1 A:GLU387 4.2 47.0 1.0 C5 A:GAF1490 4.2 40.8 1.0 CH2 A:TRP151 4.2 36.7 1.0 CD2 A:HIS150 4.3 38.1 1.0 ND2 A:ASN320 4.3 35.2 1.0 CE2 A:TRP151 4.6 40.3 1.0 O A:HOH2151 4.6 27.9 0.5 ND1 A:HIS150 4.8 36.6 1.0 CB A:GLU206 4.8 36.4 1.0 CG A:GLU387 4.9 39.1 1.0

Fluorine binding site 2 out of 2 in the Structure of Beta-Glycosidase From Sulfolobus Solfataricus in Complex with 2-Deoxy-2-Fluoro-Galactose


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Beta-Glycosidase From Sulfolobus Solfataricus in Complex with 2-Deoxy-2-Fluoro-Galactose within 5.0Å range: probe atom residue distance (Å) B Occ B:F1490 b:35.5 occ:1.00 F2 B:GAF1490 0.0 35.5 1.0 C2 B:GAF1490 1.4 35.6 1.0 C1 B:GAF1490 2.4 36.6 1.0 C3 B:GAF1490 2.4 35.3 1.0 OE2 B:GLU387 2.7 38.0 1.0 O3 B:GAF1490 2.8 34.9 1.0 O B:HOH2080 2.8 39.5 1.0 ND2 B:ASN205 3.0 30.0 1.0 NE2 B:HIS150 3.3 30.2 1.0 CD B:GLU206 3.4 39.0 1.0 OE2 B:GLU206 3.4 38.0 1.0 OD1 B:ASN205 3.5 34.0 1.0 OE1 B:GLU206 3.5 38.6 1.0 CE1 B:HIS150 3.6 30.0 1.0 O5 B:GAF1490 3.6 34.3 1.0 CG B:ASN205 3.7 35.6 1.0 C4 B:GAF1490 3.7 34.7 1.0 CD B:GLU387 3.7 41.9 1.0 CG B:GLU206 4.1 35.1 1.0 CZ2 B:TRP151 4.1 32.0 1.0 C5 B:GAF1490 4.1 35.2 1.0 ND2 B:ASN320 4.1 30.1 1.0 OE1 B:GLU387 4.2 44.8 1.0 O4 B:GAF1490 4.2 36.2 1.0 CH2 B:TRP151 4.4 34.7 1.0 CD2 B:HIS150 4.5 29.4 1.0 O B:HOH2153 4.7 46.8 1.0 ND1 B:HIS150 4.8 30.0 1.0 CE2 B:TRP151 4.8 33.4 1.0 CG B:GLU387 4.9 39.9 1.0 CB B:GLU206 4.9 35.9 1.0 CZ3 B:TRP425 4.9 26.4 1.0

T.M.Gloster, S.Roberts, V.M.Ducros, G.Perugino, M.Rossi, R.Hoos, M.Moracci, A.Vasella, G.J.Davies. Structural Studies of the Beta-Glycosidase From Sulfolobus Solfataricus in Complex with Covalently and Noncovalently Bound Inhibitors. Biochemistry V. 43 6101 2004.
ISSN: ISSN 0006-2960
PubMed: 15147194
DOI: 10.1021/BI049666M