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Fluorine in PDB 6gx8: Alpha-Galactosidase From Thermotoga Maritima in Complex with Hydrolysed Cyclohexene-Based Carbasugar Mimic of Galactose

Enzymatic activity of Alpha-Galactosidase From Thermotoga Maritima in Complex with Hydrolysed Cyclohexene-Based Carbasugar Mimic of Galactose

All present enzymatic activity of Alpha-Galactosidase From Thermotoga Maritima in Complex with Hydrolysed Cyclohexene-Based Carbasugar Mimic of Galactose:
3.2.1.22;

Protein crystallography data

The structure of Alpha-Galactosidase From Thermotoga Maritima in Complex with Hydrolysed Cyclohexene-Based Carbasugar Mimic of Galactose, PDB code: 6gx8 was solved by T.M.Gloster, V.Oehler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 68.44 / 1.42
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 95.817, 97.506, 67.419, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 20.2

Other elements in 6gx8:

The structure of Alpha-Galactosidase From Thermotoga Maritima in Complex with Hydrolysed Cyclohexene-Based Carbasugar Mimic of Galactose also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Alpha-Galactosidase From Thermotoga Maritima in Complex with Hydrolysed Cyclohexene-Based Carbasugar Mimic of Galactose (pdb code 6gx8). 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 Alpha-Galactosidase From Thermotoga Maritima in Complex with Hydrolysed Cyclohexene-Based Carbasugar Mimic of Galactose, PDB code: 6gx8:

Fluorine binding site 1 out of 1 in 6gx8

Go back to Fluorine Binding Sites List in 6gx8
Fluorine binding site 1 out of 1 in the Alpha-Galactosidase From Thermotoga Maritima in Complex with Hydrolysed Cyclohexene-Based Carbasugar Mimic of Galactose


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Alpha-Galactosidase From Thermotoga Maritima in Complex with Hydrolysed Cyclohexene-Based Carbasugar Mimic of Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F604

b:27.1
occ:1.00
 FAH A:FH2604 0.0 27.1 1.0
CAE A:FH2604 1.6 25.1 1.0
CAD A:FH2604 2.6 23.2 1.0
OD1 A:ASP387 2.6 17.0 1.0
CAA A:FH2604 2.6 28.3 1.0
OAG A:FH2604 2.9 17.6 1.0
O1 A:FH2604 3.0 23.3 1.0
NH1 A:ARG383 3.1 13.4 1.0
NE1 A:TRP65 3.1 16.7 1.0
SG A:CYS368 3.2 12.4 0.8
NH2 A:ARG383 3.5 12.8 1.0
CG A:ASP387 3.5 17.4 1.0
CZ A:ARG383 3.7 12.3 1.0
CE2 A:TRP65 3.7 13.6 1.0
OD2 A:ASP387 3.7 17.9 1.0
CZ2 A:TRP65 3.7 15.7 1.0
CAB A:FH2604 3.8 23.7 1.0
CAC A:FH2604 3.9 20.9 1.0
OD2 A:ASP327 3.9 15.3 1.0
CD1 A:TRP65 4.2 14.8 1.0
OD1 A:ASP327 4.2 12.8 1.0
OAF A:FH2604 4.3 18.8 1.0
OH A:TYR191 4.3 15.5 1.0
CAI A:FH2604 4.4 23.2 1.0
CG A:ASP327 4.5 13.4 1.0
CB A:CYS368 4.8 15.2 0.2
CB A:ASP387 4.9 13.9 1.0
CB A:CYS368 4.9 11.7 0.8
NE A:ARG383 4.9 11.7 1.0
CD2 A:TRP65 4.9 13.2 1.0
NZ A:LYS325 5.0 15.9 1.0

Reference:

W.Ren, R.Pengelly, M.Farren-Dai, S.Shamsi Kazem Abadi, V.Oehler, O.Akintola, J.Draper, M.Meanwell, S.Chakladar, K.Swiderek, V.Moliner, R.Britton, T.M.Gloster, A.J.Bennet. Revealing the Mechanism For Covalent Inhibition of Glycoside Hydrolases By Carbasugars at An Atomic Level. Nat Commun V. 9 3243 2018.
ISSN: ESSN 2041-1723
PubMed: 30104598
DOI: 10.1038/S41467-018-05702-7
Page generated: Thu Aug 1 20:49:32 2024

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