Atomistry » Fluorine » PDB 6gqm-6hax » 6gx8
Atomistry »
  Fluorine »
    PDB 6gqm-6hax »
      6gx8 »

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

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy