Fluorine in PDB 4ba0: Crystal Structure of AGD31B, Alpha-Transglucosylase, Complexed with 5F-Alpha-Glcf

All present enzymatic activity of Crystal Structure of AGD31B, Alpha-Transglucosylase, Complexed with 5F-Alpha-Glcf:
3.2.1.20;

The structure of Crystal Structure of AGD31B, Alpha-Transglucosylase, Complexed with 5F-Alpha-Glcf, PDB code: 4ba0 was solved by J.Larsbrink, A.Izumi, G.R.Hemsworth, G.J.Davies, H.Brumer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.479 / 1.85
Space group	P 6 2 2
Cell size a, b, c (Å), α, β, γ (°)	197.230, 197.230, 103.060, 90.00, 90.00, 120.00
R / Rfree (%)	16.71 / 19.32

The binding sites of Fluorine atom in the Crystal Structure of AGD31B, Alpha-Transglucosylase, Complexed with 5F-Alpha-Glcf (pdb code 4ba0). 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 AGD31B, Alpha-Transglucosylase, Complexed with 5F-Alpha-Glcf, PDB code: 4ba0:

Fluorine binding site 1 out of 1 in the Crystal Structure of AGD31B, Alpha-Transglucosylase, Complexed with 5F-Alpha-Glcf


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 AGD31B, Alpha-Transglucosylase, Complexed with 5F-Alpha-Glcf within 5.0Å range: probe atom residue distance (Å) B Occ A:F1818 b:20.8 occ:1.00 F A:5GF1818 0.0 20.8 1.0 C5 A:5GF1818 1.3 22.9 1.0 O5 A:5GF1818 2.2 18.5 1.0 C6 A:5GF1818 2.3 22.7 1.0 C4 A:5GF1818 2.3 20.4 1.0 O4 A:5GF1818 2.8 19.4 1.0 C3 A:5GF1818 2.8 23.6 1.0 O A:HOH2310 3.1 35.1 1.0 CZ A:PHE513 3.3 20.2 1.0 C1 A:5GF1818 3.3 24.0 1.0 C2 A:5GF1818 3.6 17.8 1.0 O6 A:5GF1818 3.6 21.1 1.0 CD2 A:PHE271 3.6 20.0 1.0 CE2 A:PHE271 3.6 25.3 1.0 O A:HOH2350 3.8 30.4 1.0 CE1 A:PHE513 4.0 21.9 1.0 O A:HOH2279 4.1 37.1 1.0 O3 A:5GF1818 4.1 19.6 1.0 CE2 A:PHE513 4.2 20.6 1.0 O2 A:5GF1818 4.2 19.1 1.0 OD2 A:ASP412 4.3 21.9 1.0 CG A:PHE271 4.3 20.6 1.0 OD2 A:ASP480 4.3 23.1 1.0 CZ A:PHE271 4.4 22.1 1.0 OD1 A:ASP480 4.5 21.3 1.0 CG A:ASP480 4.8 25.7 1.0 OD2 A:ASP299 4.9 19.9 1.0 CD1 A:PHE271 5.0 20.2 1.0

J.Larsbrink, A.Izumi, G.R.Hemsworth, G.J.Davies, H.Brumer. Structural Enzymology of Cellvibrio Japonicus AGD31B Reveals Alpha-Transglucosylase Activity in Glycoside Hydrolase Family 31 J.Biol.Chem. V. 287 43288 2012.
ISSN: ISSN 0021-9258
PubMed: 23132856
DOI: 10.1074/JBC.M112.416511