Fluorine in PDB 1e70: 2-F-Glucosylated Myrosinase From Sinapis Alba

All present enzymatic activity of 2-F-Glucosylated Myrosinase From Sinapis Alba:
3.2.1.147;

The structure of 2-F-Glucosylated Myrosinase From Sinapis Alba, PDB code: 1e70 was solved by W.P.Burmeister, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.65
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	135.300, 137.200, 80.600, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 19.5

The structure of 2-F-Glucosylated Myrosinase From Sinapis Alba also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Fluorine atom in the 2-F-Glucosylated Myrosinase From Sinapis Alba (pdb code 1e70). 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 2-F-Glucosylated Myrosinase From Sinapis Alba, PDB code: 1e70:

Fluorine binding site 1 out of 1 in the 2-F-Glucosylated Myrosinase From Sinapis Alba


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of 2-F-Glucosylated Myrosinase From Sinapis Alba within 5.0Å range: probe atom residue distance (Å) B Occ M:F999 b:28.6 occ:1.00 F2 M:G2F999 0.0 28.6 1.0 C2 M:G2F999 1.4 32.7 1.0 C1 M:G2F999 2.3 33.8 1.0 C3 M:G2F999 2.4 32.0 1.0 OE2 M:GLU409 2.7 26.7 0.7 O3 M:G2F999 2.9 27.3 1.0 ND2 M:ASN186 2.9 23.4 1.0 CD M:GLU409 3.1 29.8 0.7 NE2 M:HIS141 3.2 20.6 1.0 CE1 M:HIS141 3.4 21.1 1.0 OE1 M:GLN187 3.5 21.9 1.0 CD M:GLU409 3.6 28.1 0.3 O5 M:G2F999 3.6 35.5 1.0 OD1 M:ASN186 3.6 23.4 1.0 CG M:ASN186 3.7 20.8 1.0 C4 M:G2F999 3.7 33.6 1.0 CD M:GLN187 3.8 23.4 1.0 OE1 M:GLU409 4.1 27.9 0.3 C5 M:G2F999 4.1 34.7 1.0 ND2 M:ASN328 4.1 21.6 1.0 NE2 M:GLN187 4.3 22.9 1.0 CG M:GLU409 4.4 27.0 0.3 CG M:GLN187 4.4 22.5 1.0 CD2 M:HIS141 4.4 21.4 1.0 CG M:GLU409 4.6 27.9 0.7 CH2 M:TRP142 4.6 25.8 1.0 ND1 M:HIS141 4.6 21.6 1.0 CZ2 M:TRP142 4.6 22.8 1.0 O M:HOH2345 4.7 34.2 1.0 O M:HOH2344 4.8 67.5 1.0 O4 M:G2F999 4.9 32.6 1.0

W.P.Burmeister, S.Cottaz, P.Rollin, A.Vasella, B.Henrissat. High Resolution X-Ray Crystallography Shows That Ascorbate Is A Cofactor For Myrosinase and Substitutes For the Function of the Catalytic Base J.Biol.Chem. V. 275 39385 2000.
ISSN: ISSN 0021-9258
PubMed: 10978344
DOI: 10.1074/JBC.M006796200