Fluorine in PDB 1e4i: 2-Deoxy-2-Fluoro-Beta-D-Glucosyl/Enzyme Intermediate Complex of the Beta-Glucosidase From Bacillus Polymyxa

All present enzymatic activity of 2-Deoxy-2-Fluoro-Beta-D-Glucosyl/Enzyme Intermediate Complex of the Beta-Glucosidase From Bacillus Polymyxa:
3.2.1.21;

The structure of 2-Deoxy-2-Fluoro-Beta-D-Glucosyl/Enzyme Intermediate Complex of the Beta-Glucosidase From Bacillus Polymyxa, PDB code: 1e4i was solved by J.Sanz-Aparicio, B.Gonzalez, J.A.Hermoso, J.C.Arribas, F.J.Canada, J.Polaina, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.00
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	136.230, 136.230, 173.260, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 25

The binding sites of Fluorine atom in the 2-Deoxy-2-Fluoro-Beta-D-Glucosyl/Enzyme Intermediate Complex of the Beta-Glucosidase From Bacillus Polymyxa (pdb code 1e4i). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the 2-Deoxy-2-Fluoro-Beta-D-Glucosyl/Enzyme Intermediate Complex of the Beta-Glucosidase From Bacillus Polymyxa, PDB code: 1e4i:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the 2-Deoxy-2-Fluoro-Beta-D-Glucosyl/Enzyme Intermediate Complex of the Beta-Glucosidase From Bacillus Polymyxa


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of 2-Deoxy-2-Fluoro-Beta-D-Glucosyl/Enzyme Intermediate Complex of the Beta-Glucosidase From Bacillus Polymyxa within 5.0Å range: probe atom residue distance (Å) B Occ A:F2000 b:10.7 occ:1.00 F2 A:G2F2000 0.0 10.7 1.0 C2 A:G2F2000 1.4 9.4 1.0 C3 A:G2F2000 2.4 8.8 1.0 OE2 A:GLU352 2.5 16.6 1.0 C1 A:G2F2000 2.5 10.2 1.0 O3 A:G2F2000 2.8 7.2 1.0 OD1 A:ASN165 2.8 14.7 1.0 NE2 A:HIS121 3.0 13.2 1.0 CE1 A:HIS121 3.1 9.4 1.0 OE1 A:GLU166 3.4 13.5 1.0 CD A:GLU166 3.6 13.9 1.0 CG A:ASN165 3.6 12.4 1.0 CD A:GLU352 3.7 15.8 1.0 ND2 A:ASN165 3.7 8.3 1.0 O5 A:G2F2000 3.7 12.3 1.0 C4 A:G2F2000 3.7 8.1 1.0 OE2 A:GLU166 3.9 16.2 1.0 ND2 A:ASN294 3.9 14.8 1.0 CZ2 A:TRP122 4.2 8.0 1.0 C5 A:G2F2000 4.2 10.2 1.0 OE1 A:GLU352 4.3 20.2 1.0 CG A:GLU166 4.3 10.8 1.0 CD2 A:HIS121 4.3 9.9 1.0 ND1 A:HIS121 4.4 11.3 1.0 CH2 A:TRP122 4.5 8.4 1.0 CZ3 A:TRP398 4.7 9.4 1.0 CG A:GLU352 4.8 15.7 1.0 NH2 A:ARG77 4.8 22.6 1.0 O4 A:G2F2000 4.8 8.2 1.0 CE2 A:TRP122 4.9 9.1 1.0 CH2 A:TRP398 4.9 8.2 1.0 CE3 A:TRP398 5.0 9.6 1.0 CG A:HIS121 5.0 12.4 1.0

Fluorine binding site 2 out of 2 in the 2-Deoxy-2-Fluoro-Beta-D-Glucosyl/Enzyme Intermediate Complex of the Beta-Glucosidase From Bacillus Polymyxa


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of 2-Deoxy-2-Fluoro-Beta-D-Glucosyl/Enzyme Intermediate Complex of the Beta-Glucosidase From Bacillus Polymyxa within 5.0Å range: probe atom residue distance (Å) B Occ A:F3000 b:19.0 occ:1.00 F A:NFG3000 0.0 19.0 1.0 C2 A:NFG3000 1.4 17.0 1.0 C1 A:NFG3000 2.4 18.2 1.0 C3 A:NFG3000 2.4 17.2 1.0 O1 A:NFG3000 2.7 17.4 1.0 O3 A:NFG3000 2.9 19.2 1.0 O A:HOH2234 3.2 21.4 1.0 CD1 A:LEU203 3.3 13.5 1.0 O5 A:NFG3000 3.7 17.4 1.0 C4 A:NFG3000 3.7 16.5 1.0 C11 A:NFG3000 3.9 21.8 1.0 C5 A:NFG3000 4.2 17.2 1.0 O11 A:NFG3000 4.2 33.9 1.0 CG A:LEU203 4.5 10.4 1.0 CD2 A:LEU203 4.5 11.2 1.0 C16 A:NFG3000 4.6 22.2 1.0 N1 A:NFG3000 4.7 27.5 1.0 C12 A:NFG3000 4.7 24.9 1.0 O4 A:NFG3000 4.8 19.8 1.0

J.Sanz-Aparicio, J.A.Hermoso, M.Martinez-Ripoll, B.Gonzalez, C.Lopez-Camacho, J.Polaina. Structural Basis of Increased Resistance to Thermal Denaturation Induced By Single Amino Acid Substitution in the Sequence of Beta-Glucosidase A From Bacillus Polymyxa. Proteins: Struct.,Funct., V. 33 567 1998GENET..
ISSN: ISSN 0887-3585
PubMed: 9849940
DOI: 10.1002/(SICI)1097-0134(19981201)33:4<567::AID-PROT9>3.0.CO;2-U