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Fluorine in PDB 3gnr: Crystal Structure of A Rice OS3BGLU6 Beta-Glucosidase with Covalently Bound 2-Deoxy-2-Fluoroglucoside to the Catalytic Nucleophile E396

Enzymatic activity of Crystal Structure of A Rice OS3BGLU6 Beta-Glucosidase with Covalently Bound 2-Deoxy-2-Fluoroglucoside to the Catalytic Nucleophile E396

All present enzymatic activity of Crystal Structure of A Rice OS3BGLU6 Beta-Glucosidase with Covalently Bound 2-Deoxy-2-Fluoroglucoside to the Catalytic Nucleophile E396:
3.2.1.21;

Protein crystallography data

The structure of Crystal Structure of A Rice OS3BGLU6 Beta-Glucosidase with Covalently Bound 2-Deoxy-2-Fluoroglucoside to the Catalytic Nucleophile E396, PDB code: 3gnr was solved by S.Seshadri, T.Akiyama, R.Opassiri, B.Kuaprasert, J.R.K.Cairns, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.74 / 1.81
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.679, 90.591, 101.883, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 18.5

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of A Rice OS3BGLU6 Beta-Glucosidase with Covalently Bound 2-Deoxy-2-Fluoroglucoside to the Catalytic Nucleophile E396 (pdb code 3gnr). 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 A Rice OS3BGLU6 Beta-Glucosidase with Covalently Bound 2-Deoxy-2-Fluoroglucoside to the Catalytic Nucleophile E396, PDB code: 3gnr:

Fluorine binding site 1 out of 1 in 3gnr

Go back to Fluorine Binding Sites List in 3gnr
Fluorine binding site 1 out of 1 in the Crystal Structure of A Rice OS3BGLU6 Beta-Glucosidase with Covalently Bound 2-Deoxy-2-Fluoroglucoside to the Catalytic Nucleophile E396


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 A Rice OS3BGLU6 Beta-Glucosidase with Covalently Bound 2-Deoxy-2-Fluoroglucoside to the Catalytic Nucleophile E396 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1001

b:14.5
occ:1.00
 F2 A:G2F1001 0.0 14.5 1.0
C2 A:G2F1001 1.4 14.1 1.0
C1 A:G2F1001 2.3 14.9 1.0
C3 A:G2F1001 2.4 13.0 1.0
O A:HOH857 2.6 33.8 1.0
OE1 A:GLU394 2.6 17.2 1.0
O3 A:G2F1001 2.9 12.9 1.0
OD1 A:ASN177 2.9 16.6 1.0
NE2 A:HIS132 3.1 15.2 1.0
CE1 A:HIS132 3.2 10.1 1.0
CD A:GLU394 3.6 18.9 1.0
ND2 A:ASN177 3.6 12.1 1.0
CG A:ASN177 3.6 13.4 1.0
O5 A:G2F1001 3.6 16.0 1.0
C4 A:G2F1001 3.7 14.9 1.0
OE2 A:GLU178 3.8 16.0 1.0
ND2 A:ASN319 3.9 12.6 1.0
CD A:GLU178 4.0 13.5 1.0
C5 A:G2F1001 4.1 14.2 1.0
OE2 A:GLU394 4.1 17.1 1.0
O A:HOH642 4.4 24.0 1.0
OE1 A:GLU178 4.4 13.4 1.0
CD2 A:HIS132 4.4 10.3 1.0
ND1 A:HIS132 4.4 15.2 1.0
CG A:GLU178 4.5 11.4 1.0
CG A:GLU394 4.6 16.6 1.0
CZ2 A:TRP133 4.7 14.0 1.0
O4 A:G2F1001 4.8 15.0 1.0
CZ3 A:TRP444 4.8 10.9 1.0
CH2 A:TRP444 5.0 11.3 1.0

Reference:

S.Seshadri, T.Akiyama, R.Opassiri, B.Kuaprasert, J.R.K.Cairns. Structural and Enzymatic Characterization of OS3BGLU6, A Rice Beta-Glucosidase Hydrolyzing Hydrophobic Glycosides and (1->3)- and (1->2)-Linked Disaccharides. Plant Physiol. V. 151 47 2009.
ISSN: ISSN 0032-0889
PubMed: 19587102
DOI: 10.1104/PP.109.139436
Page generated: Wed Jul 31 18:56:12 2024

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