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Fluorine in PDB 3aiw: Crystal Structure of Beta-Glucosidase in Rye Complexed with 2-Deoxy-2- Fluoroglucoside and Dinitrophenol

Enzymatic activity of Crystal Structure of Beta-Glucosidase in Rye Complexed with 2-Deoxy-2- Fluoroglucoside and Dinitrophenol

All present enzymatic activity of Crystal Structure of Beta-Glucosidase in Rye Complexed with 2-Deoxy-2- Fluoroglucoside and Dinitrophenol:
3.2.1.21;

Protein crystallography data

The structure of Crystal Structure of Beta-Glucosidase in Rye Complexed with 2-Deoxy-2- Fluoroglucoside and Dinitrophenol, PDB code: 3aiw was solved by M.Sue, C.Nakamura, T.Miyamoto, S.Yajima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.40
Space group P 41 3 2
Cell size a, b, c (Å), α, β, γ (°) 194.686, 194.686, 194.686, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 21.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Beta-Glucosidase in Rye Complexed with 2-Deoxy-2- Fluoroglucoside and Dinitrophenol (pdb code 3aiw). 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 Crystal Structure of Beta-Glucosidase in Rye Complexed with 2-Deoxy-2- Fluoroglucoside and Dinitrophenol, PDB code: 3aiw:

Fluorine binding site 1 out of 1 in 3aiw

Go back to Fluorine Binding Sites List in 3aiw
Fluorine binding site 1 out of 1 in the Crystal Structure of Beta-Glucosidase in Rye Complexed with 2-Deoxy-2- Fluoroglucoside and Dinitrophenol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Beta-Glucosidase in Rye Complexed with 2-Deoxy-2- Fluoroglucoside and Dinitrophenol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F700

b:27.0
occ:1.00
 F2 A:G2F700 0.0 27.0 1.0
C2 A:G2F700 1.4 23.4 1.0
C3 A:G2F700 2.4 24.6 1.0
C1 A:G2F700 2.4 28.7 1.0
ND2 A:ASN190 2.7 17.2 1.0
OE2 A:GLU407 2.8 29.2 1.0
O3 A:G2F700 2.8 19.3 1.0
OE1 A:GLU407 2.9 28.1 1.0
CE1 A:HIS145 3.0 13.5 1.0
NE2 A:HIS145 3.0 16.2 1.0
CD A:GLU407 3.1 21.5 1.0
O5 A:G2F700 3.7 22.6 1.0
C4 A:G2F700 3.7 19.4 1.0
CD A:GLU191 3.7 29.9 1.0
OE1 A:GLU191 3.8 34.7 1.0
CG A:ASN190 3.9 20.8 1.0
OE2 A:GLU191 4.0 34.6 1.0
C5 A:G2F700 4.1 21.0 1.0
CG A:GLU191 4.2 23.2 1.0
ND1 A:HIS145 4.2 19.0 1.0
CD2 A:HIS145 4.3 8.9 1.0
O1 A:DNF800 4.3 22.3 0.5
OD1 A:ASN190 4.4 22.2 1.0
CG A:GLU407 4.5 16.2 1.0
CZ3 A:TRP455 4.6 16.3 1.0
CZ2 A:TRP146 4.6 21.5 1.0
O4 A:G2F700 4.7 22.4 1.0
CE3 A:TRP455 4.8 14.3 1.0
CH2 A:TRP455 4.9 14.8 1.0
CG A:HIS145 4.9 16.4 1.0
CH2 A:TRP146 5.0 23.1 1.0
OE1 A:GLN43 5.0 20.1 1.0
CB A:GLU191 5.0 19.8 1.0
CB A:ASN190 5.0 20.3 1.0

Reference:

M.Sue, C.Nakamura, T.Miyamoto, S.Yajima. Active-Site Architecture of Benzoxazinone-Glucoside Beta-D-Glucosidases in Triticeae Plant Sci. V. 180 268 2011.
ISSN: ISSN 0168-9452
PubMed: 21421370
DOI: 10.1016/J.PLANTSCI.2010.09.001
Page generated: Mon Jul 14 15:13:29 2025

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