Fluorine in PDB 2jie: Beta-Glucosidase B From Bacillus Polymyxa Complexed with 2- F-Glucose

All present enzymatic activity of Beta-Glucosidase B From Bacillus Polymyxa Complexed with 2- F-Glucose:
3.2.1.21;

The structure of Beta-Glucosidase B From Bacillus Polymyxa Complexed with 2- F-Glucose, PDB code: 2jie 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)	25.0 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.236, 74.647, 88.754, 90.00, 90.00, 90.00
R / Rfree (%)	24.98 / 30.61

The binding sites of Fluorine atom in the Beta-Glucosidase B From Bacillus Polymyxa Complexed with 2- F-Glucose (pdb code 2jie). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Beta-Glucosidase B From Bacillus Polymyxa Complexed with 2- F-Glucose, PDB code: 2jie:

Fluorine binding site 1 out of 1 in the Beta-Glucosidase B From Bacillus Polymyxa Complexed with 2- F-Glucose


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Beta-Glucosidase B From Bacillus Polymyxa Complexed with 2- F-Glucose within 5.0Å range: probe atom residue distance (Å) B Occ A:F1449 b:39.5 occ:1.00 F2 A:G2F1449 0.0 39.5 1.0 C2 A:G2F1449 1.5 35.3 1.0 C3 A:G2F1449 2.5 33.2 1.0 C1 A:G2F1449 2.5 35.9 1.0 OE1 A:GLU356 2.7 42.5 1.0 O3 A:G2F1449 2.8 32.3 1.0 OD1 A:ASN166 3.3 35.3 1.0 OE2 A:GLU167 3.3 30.6 1.0 ND2 A:ASN166 3.3 31.3 1.0 ND2 A:ASN296 3.3 36.2 1.0 NE2 A:HIS122 3.4 33.1 1.0 CD A:GLU356 3.5 41.2 1.0 CE1 A:HIS122 3.6 30.6 1.0 CG A:ASN166 3.7 34.2 1.0 O5 A:G2F1449 3.7 34.3 1.0 OE2 A:GLU356 3.8 46.0 1.0 CD A:GLU167 3.9 31.5 1.0 C4 A:G2F1449 3.9 31.3 1.0 NH1 A:ARG79 4.3 52.5 1.0 C5 A:G2F1449 4.3 30.4 1.0 OE1 A:GLU167 4.5 27.7 1.0 CG A:GLU167 4.5 30.5 1.0 CZ2 A:TRP123 4.5 31.6 1.0 CG A:ASN296 4.5 37.5 1.0 CG A:GLU356 4.6 40.1 1.0 CZ3 A:TRP402 4.6 35.9 1.0 CH2 A:TRP123 4.7 30.7 1.0 CD2 A:HIS122 4.7 32.5 1.0 CB A:GLU356 4.8 36.5 1.0 CE3 A:TRP402 4.8 38.3 1.0 ND1 A:HIS122 4.9 33.1 1.0 O4 A:G2F1449 5.0 29.2 1.0 CH2 A:TRP402 5.0 36.7 1.0

P.Isorna, J.Polaina, L.Latorre-Garcia, F.J.Canada, B.Gonzalez, J.Sanz-Aparicio. Crystal Structures of Paenibacillus Polymyxa Beta- Glucosidase B Complexes Reveal the Molecular Basis of Substrate Specificity and Give New Insights Into the Catalytic Machinery of Family I Glycosidases. J.Mol.Biol. V. 371 1204 2007.
ISSN: ISSN 0022-2836
PubMed: 17585934
DOI: 10.1016/J.JMB.2007.05.082