Fluorine in PDB 4nxs: Crystal Structure of Human Alpha-Galactosidase A in Complex with 1- Deoxygalactonojirimycin-Pfpht

All present enzymatic activity of Crystal Structure of Human Alpha-Galactosidase A in Complex with 1- Deoxygalactonojirimycin-Pfpht:
3.2.1.22;

The structure of Crystal Structure of Human Alpha-Galactosidase A in Complex with 1- Deoxygalactonojirimycin-Pfpht, PDB code: 4nxs was solved by J.L.Johnson, J.E.Drury, R.L.Lieberman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.68 / 2.55
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.783, 90.783, 217.382, 90.00, 90.00, 120.00
R / Rfree (%)	18.7 / 23.2

The binding sites of Fluorine atom in the Crystal Structure of Human Alpha-Galactosidase A in Complex with 1- Deoxygalactonojirimycin-Pfpht (pdb code 4nxs). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human Alpha-Galactosidase A in Complex with 1- Deoxygalactonojirimycin-Pfpht, PDB code: 4nxs:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Human Alpha-Galactosidase A in Complex with 1- Deoxygalactonojirimycin-Pfpht


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 Human Alpha-Galactosidase A in Complex with 1- Deoxygalactonojirimycin-Pfpht within 5.0Å range: probe atom residue distance (Å) B Occ A:F508 b:98.0 occ:0.77 FAG A:2OZ508 0.0 98.0 0.8 CAE A:2OZ508 1.3 96.2 0.8 CAD A:2OZ508 2.3 96.7 0.8 CAF A:2OZ508 2.4 93.0 0.8 CAA A:2OZ508 3.7 90.5 0.8 CAC A:2OZ508 3.7 96.9 0.8 CAB A:2OZ508 4.2 92.5 0.8 CD1 A:LEU206 4.7 36.8 1.0 CG A:LEU206 4.9 45.2 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Human Alpha-Galactosidase A in Complex with 1- Deoxygalactonojirimycin-Pfpht


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Alpha-Galactosidase A in Complex with 1- Deoxygalactonojirimycin-Pfpht within 5.0Å range: probe atom residue distance (Å) B Occ B:F507 b:80.1 occ:0.71 FAG B:2OZ507 0.0 80.1 0.7 CAE B:2OZ507 1.3 78.8 0.7 CAD B:2OZ507 2.3 79.6 0.7 CAF B:2OZ507 2.4 77.7 0.7 CAA B:2OZ507 3.7 78.3 0.7 CAC B:2OZ507 3.7 82.2 0.7 CAB B:2OZ507 4.2 83.0 0.7 CD1 B:LEU206 4.5 52.8 1.0 CG B:LEU206 4.9 54.9 1.0 CB B:ALA230 5.0 42.8 1.0

Y.Yu, T.Mena-Barragan, K.Higaki, J.L.Johnson, J.E.Drury, R.L.Lieberman, N.Nakasone, H.Ninomiya, T.Tsukimura, H.Sakuraba, Y.Suzuki, E.Nanba, C.O.Mellet, J.M.Garcia Fernandez, K.Ohno. Molecular Basis of 1-Deoxygalactonojirimycin Arylthiourea Binding to Human Alpha-Galactosidase A: Pharmacological Chaperoning Efficacy on Fabry Disease Mutants. Acs Chem.Biol. V. 9 1460 2014.
ISSN: ISSN 1554-8929
PubMed: 24783948
DOI: 10.1021/CB500143H