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Fluorine in PDB 4m81: The Structure of E292S Glycosynthase Variant of Exo-1,3-Beta-Glucanase From Candida Albicans Complexed with 1-Fluoro-Alpha-D-Glucopyranoside (Donor) and P-Nitrophenyl Beta-D-Glucopyranoside (Acceptor) at 1.86A Resolution

Enzymatic activity of The Structure of E292S Glycosynthase Variant of Exo-1,3-Beta-Glucanase From Candida Albicans Complexed with 1-Fluoro-Alpha-D-Glucopyranoside (Donor) and P-Nitrophenyl Beta-D-Glucopyranoside (Acceptor) at 1.86A Resolution

All present enzymatic activity of The Structure of E292S Glycosynthase Variant of Exo-1,3-Beta-Glucanase From Candida Albicans Complexed with 1-Fluoro-Alpha-D-Glucopyranoside (Donor) and P-Nitrophenyl Beta-D-Glucopyranoside (Acceptor) at 1.86A Resolution:
3.2.1.58;

Protein crystallography data

The structure of The Structure of E292S Glycosynthase Variant of Exo-1,3-Beta-Glucanase From Candida Albicans Complexed with 1-Fluoro-Alpha-D-Glucopyranoside (Donor) and P-Nitrophenyl Beta-D-Glucopyranoside (Acceptor) at 1.86A Resolution, PDB code: 4m81 was solved by Y.Nakatani, S.M.Cutfield, D.S.Larsen, J.F.Cutfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.09 / 1.86
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 59.006, 64.202, 95.037, 90.00, 90.00, 90.00
R / Rfree (%) 14.8 / 21.1

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Structure of E292S Glycosynthase Variant of Exo-1,3-Beta-Glucanase From Candida Albicans Complexed with 1-Fluoro-Alpha-D-Glucopyranoside (Donor) and P-Nitrophenyl Beta-D-Glucopyranoside (Acceptor) at 1.86A Resolution (pdb code 4m81). 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 The Structure of E292S Glycosynthase Variant of Exo-1,3-Beta-Glucanase From Candida Albicans Complexed with 1-Fluoro-Alpha-D-Glucopyranoside (Donor) and P-Nitrophenyl Beta-D-Glucopyranoside (Acceptor) at 1.86A Resolution, PDB code: 4m81:

Fluorine binding site 1 out of 1 in 4m81

Go back to Fluorine Binding Sites List in 4m81
Fluorine binding site 1 out of 1 in the The Structure of E292S Glycosynthase Variant of Exo-1,3-Beta-Glucanase From Candida Albicans Complexed with 1-Fluoro-Alpha-D-Glucopyranoside (Donor) and P-Nitrophenyl Beta-D-Glucopyranoside (Acceptor) at 1.86A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Structure of E292S Glycosynthase Variant of Exo-1,3-Beta-Glucanase From Candida Albicans Complexed with 1-Fluoro-Alpha-D-Glucopyranoside (Donor) and P-Nitrophenyl Beta-D-Glucopyranoside (Acceptor) at 1.86A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:12.1
occ:1.00
 F1 A:GLF501 0.0 12.1 1.0
C1 A:GLF501 1.4 14.4 1.0
O5 A:GLF501 2.3 10.6 1.0
C2 A:GLF501 2.4 9.0 1.0
C5 A:GLF501 2.7 12.7 1.0
O2 A:GLF501 2.8 8.8 1.0
C3 A:GLF501 2.8 9.8 1.0
OH A:TYR255 2.9 8.4 1.0
O A:HOH880 2.9 10.0 1.0
OG A:SER292 3.3 10.3 1.0
CB A:SER292 3.3 8.0 1.0
C4 A:GLF501 3.4 9.3 1.0
CE3 A:TRP363 3.8 8.9 1.0
CZ A:TYR255 3.8 8.4 1.0
CD2 A:TRP363 3.9 10.3 1.0
CE2 A:TYR255 3.9 10.9 1.0
OE2 A:GLU192 4.1 12.5 1.0
C6 A:GLF501 4.1 10.0 1.0
CG A:TRP363 4.1 7.8 1.0
O3 A:GLF501 4.1 11.5 1.0
CZ3 A:TRP363 4.3 4.9 1.0
CB A:TRP363 4.4 9.2 1.0
ND1 A:HIS253 4.4 7.0 1.0
O4 A:GLF501 4.4 10.1 1.0
CE2 A:TRP363 4.6 10.2 1.0
CE1 A:HIS253 4.7 7.8 1.0
CA A:SER292 4.7 7.2 1.0
O A:HOH968 4.7 11.8 1.0
CD A:GLU192 4.7 12.4 1.0
O6 A:PNW502 4.8 17.3 0.2
O6 A:GLF501 4.8 10.8 1.0
C6 A:PNW502 4.8 22.2 1.0
CD1 A:TRP363 4.9 10.6 1.0
CH2 A:TRP363 5.0 8.3 1.0

Reference:

Y.Nakatani, D.S.Larsen, S.M.Cutfield, J.F.Cutfield. Major Change in Regiospecificity For the Exo-1,3-Beta-Glucanase From Candida Albicans Following Its Conversion to A Glycosynthase. Biochemistry V. 53 3318 2014.
ISSN: ISSN 0006-2960
PubMed: 24804868
DOI: 10.1021/BI500239M
Page generated: Sun Dec 13 12:07:44 2020

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