Fluorine in PDB 1uyq: Mutated B-Glucosidase A From Paenibacillus Polymyxa Showing Increased Stability

All present enzymatic activity of Mutated B-Glucosidase A From Paenibacillus Polymyxa Showing Increased Stability:
3.2.1.21;

The structure of Mutated B-Glucosidase A From Paenibacillus Polymyxa Showing Increased Stability, PDB code: 1uyq was solved by P.Isorna, J.Polaina, J.Sanz-Aparicio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.95 / 2.20
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	136.416, 136.416, 173.341, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 22.7

The binding sites of Fluorine atom in the Mutated B-Glucosidase A From Paenibacillus Polymyxa Showing Increased Stability (pdb code 1uyq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Mutated B-Glucosidase A From Paenibacillus Polymyxa Showing Increased Stability, PDB code: 1uyq:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Mutated B-Glucosidase A From Paenibacillus Polymyxa Showing Increased Stability


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Mutated B-Glucosidase A From Paenibacillus Polymyxa Showing Increased Stability within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:17.4 occ:1.00 F2 A:G2F501 0.0 17.4 1.0 C2 A:G2F501 1.4 17.8 1.0 C3 A:G2F501 2.4 18.4 1.0 C1 A:G2F501 2.5 19.2 1.0 OE1 A:GLU352 2.7 29.9 1.0 O A:HOH622 2.8 47.7 1.0 O3 A:G2F501 2.8 16.0 1.0 OD1 A:ASN165 2.9 19.4 1.0 CE1 A:HIS121 3.2 15.1 1.0 NE2 A:HIS121 3.3 16.5 1.0 OE1 A:GLU166 3.3 22.0 1.0 CD A:GLU166 3.5 21.4 1.0 ND2 A:ASN165 3.6 14.9 1.0 CG A:ASN165 3.6 19.1 1.0 O5 A:G2F501 3.7 18.3 1.0 CD A:GLU352 3.7 28.8 1.0 OE2 A:GLU166 3.7 21.0 1.0 C4 A:G2F501 3.8 15.5 1.0 CG A:GLU166 4.2 20.4 1.0 CZ2 A:TRP122 4.2 17.3 1.0 OE2 A:GLU352 4.2 36.7 1.0 C5 A:G2F501 4.2 17.6 1.0 CH2 A:TRP122 4.4 17.4 1.0 ND2 A:ASN294 4.5 23.6 1.0 ND1 A:HIS121 4.5 19.0 1.0 CD2 A:HIS121 4.5 15.9 1.0 NH2 A:ARG77 4.8 25.8 1.0 CG A:GLU352 4.8 27.0 1.0 O4 A:G2F501 4.9 17.9 1.0 CE2 A:TRP122 4.9 18.0 1.0

Fluorine binding site 2 out of 2 in the Mutated B-Glucosidase A From Paenibacillus Polymyxa Showing Increased Stability


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Mutated B-Glucosidase A From Paenibacillus Polymyxa Showing Increased Stability within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:25.1 occ:1.00 F A:NFG502 0.0 25.1 1.0 C2 A:NFG502 1.4 25.2 1.0 C1 A:NFG502 2.4 25.0 1.0 C3 A:NFG502 2.4 25.1 1.0 O1 A:NFG502 2.8 26.8 1.0 O3 A:NFG502 2.8 27.2 1.0 O A:HOH663 3.1 28.5 1.0 CD1 A:LEU203 3.4 18.6 1.0 O5 A:NFG502 3.7 22.8 1.0 C4 A:NFG502 3.8 24.0 1.0 C11 A:NFG502 4.0 28.9 1.0 C5 A:NFG502 4.2 23.9 1.0 CD2 A:LEU203 4.2 16.8 1.0 O11 A:NFG502 4.3 33.1 1.0 CG A:LEU203 4.5 17.9 1.0 C16 A:NFG502 4.8 29.8 1.0 O4 A:NFG502 4.8 24.6 1.0 N1 A:NFG502 4.9 31.4 1.0 C12 A:NFG502 4.9 30.7 1.0 CD1 A:ILE283 4.9 22.4 1.0

P.Isorna, J.Polaina, J.Sanz-Aparicio. Mutated B-Glucosidase A From Paenibacillus Polymyxa Showing Increased Stability To Be Published.