Fluorine in PDB 3h4i: Chimeric Glycosyltransferase For the Generation of Novel Natural Products

The structure of Chimeric Glycosyltransferase For the Generation of Novel Natural Products, PDB code: 3h4i was solved by M.V.B.Dias, A.W.Truman, S.Wu, T.L.Blundell, F.Huang, J.B.Spencer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.25 / 1.30
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	111.480, 129.830, 67.440, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 18.4

The binding sites of Fluorine atom in the Chimeric Glycosyltransferase For the Generation of Novel Natural Products (pdb code 3h4i). 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 Chimeric Glycosyltransferase For the Generation of Novel Natural Products, PDB code: 3h4i:

Fluorine binding site 1 out of 1 in the Chimeric Glycosyltransferase For the Generation of Novel Natural Products


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Chimeric Glycosyltransferase For the Generation of Novel Natural Products within 5.0Å range: probe atom residue distance (Å) B Occ A:F547 b:11.9 occ:1.00 F1 A:U2F547 0.0 11.9 1.0 C2 A:U2F547 1.3 11.8 1.0 C1 A:U2F547 2.3 11.4 1.0 C3 A:U2F547 2.5 11.1 1.0 O1 A:U2F547 2.8 8.4 1.0 O3 A:U2F547 2.8 11.8 1.0 O A:HOH553 3.0 31.1 1.0 O A:HOH1029 3.1 22.4 1.0 OE1 A:GLN316 3.1 12.0 1.0 O A:HOH906 3.3 20.3 1.0 O5 A:U2F547 3.5 10.5 1.0 C4 A:U2F547 3.7 10.1 1.0 O A:HOH793 3.8 16.5 1.0 PB A:U2F547 4.1 7.3 1.0 C5 A:U2F547 4.1 10.7 1.0 O A:HOH1035 4.1 34.6 1.0 CD2 A:HIS291 4.2 8.2 1.0 CD A:GLN316 4.3 9.2 1.0 O1B A:U2F547 4.4 8.5 1.0 NE2 A:HIS291 4.5 8.4 1.0 O2B A:U2F547 4.5 7.2 1.0 O A:HOH562 4.7 43.1 1.0 O4 A:U2F547 4.8 10.7 1.0

A.W.Truman, M.V.B.Dias, S.Wu, T.L.Blundell, F.Huang, J.B.Spencer. Chimeric Glycosyltransferases For the Generation of Hybrid Glycopeptides Chem.Biol. V. 16 676 2009.
ISSN: ISSN 1074-5521
PubMed: 19549605
DOI: 10.1016/J.CHEMBIOL.2009.04.013