Fluorine in PDB 7vek: Crystal Structure of Phytolacca Americana UGT3 with Capsaicin and Udp- 2FLUOROGLUCOSE

The structure of Crystal Structure of Phytolacca Americana UGT3 with Capsaicin and Udp- 2FLUOROGLUCOSE, PDB code: 7vek was solved by R.Maharjan, Y.Fukuda, T.Nakayama, T.Nakayama, H.Hamada, S.Ozaki, T.Inoue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.62 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	94.276, 103.022, 109.648, 90, 90, 90
R / Rfree (%)	20.5 / 25.8

The structure of Crystal Structure of Phytolacca Americana UGT3 with Capsaicin and Udp- 2FLUOROGLUCOSE also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of Phytolacca Americana UGT3 with Capsaicin and Udp- 2FLUOROGLUCOSE (pdb code 7vek). 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 Phytolacca Americana UGT3 with Capsaicin and Udp- 2FLUOROGLUCOSE, PDB code: 7vek:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Phytolacca Americana UGT3 with Capsaicin and Udp- 2FLUOROGLUCOSE


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 Phytolacca Americana UGT3 with Capsaicin and Udp- 2FLUOROGLUCOSE within 5.0Å range: probe atom residue distance (Å) B Occ A:F503 b:54.6 occ:1.00 F1 A:U2F503 0.0 54.6 1.0 C2 A:U2F503 1.4 47.0 1.0 C3 A:U2F503 2.3 40.8 1.0 C1 A:U2F503 2.4 57.8 1.0 O3 A:U2F503 2.6 41.1 1.0 O1 A:U2F503 2.8 46.4 1.0 NE2 A:GLN395 3.0 41.8 1.0 CZ A:PHE392 3.4 54.6 1.0 CE1 A:PHE392 3.5 53.8 1.0 C4 A:U2F503 3.7 46.2 1.0 O5 A:U2F503 3.7 49.2 1.0 OG1 A:THR293 3.9 92.2 1.0 PB A:U2F503 4.0 48.9 1.0 O1B A:U2F503 4.1 73.0 1.0 C5 A:U2F503 4.2 44.2 1.0 CD A:GLN395 4.3 36.4 1.0 CB A:ALA393 4.4 24.4 1.0 CE2 A:PHE392 4.4 60.4 1.0 CE1 A:HIS370 4.4 58.4 1.0 O2B A:U2F503 4.5 76.6 1.0 CD1 A:PHE392 4.5 60.1 1.0 O4 A:U2F503 4.8 33.4 1.0 CG A:GLN395 4.8 32.5 1.0 ND1 A:HIS370 4.8 71.4 1.0 CG2 A:THR293 4.9 85.6 1.0 CB A:THR293 4.9 97.8 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Phytolacca Americana UGT3 with Capsaicin and Udp- 2FLUOROGLUCOSE


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 Phytolacca Americana UGT3 with Capsaicin and Udp- 2FLUOROGLUCOSE within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:48.5 occ:1.00 F1 B:U2F502 0.0 48.5 1.0 C2 B:U2F502 1.4 47.4 1.0 C3 B:U2F502 2.3 50.2 1.0 C1 B:U2F502 2.4 54.6 1.0 O1 B:U2F502 2.7 54.4 1.0 O3 B:U2F502 2.8 42.4 1.0 O2B B:U2F502 3.1 73.0 1.0 NE2 B:GLN395 3.4 50.0 1.0 PB B:U2F502 3.5 55.2 1.0 CZ B:PHE392 3.6 53.5 1.0 C4 B:U2F502 3.7 45.1 1.0 O5 B:U2F502 3.7 52.6 1.0 CE1 B:PHE392 4.1 57.0 1.0 CE2 B:PHE392 4.2 67.6 1.0 C5 B:U2F502 4.2 42.5 1.0 NE2 B:HIS370 4.3 46.6 1.0 OG1 B:THR293 4.4 77.0 1.0 CD2 B:HIS370 4.5 40.4 1.0 CB B:ALA393 4.6 34.9 1.0 CD B:GLN395 4.6 42.1 1.0 O3A B:U2F502 4.6 61.0 1.0 O1B B:U2F502 4.7 47.8 1.0 O4 B:U2F502 4.7 38.1 1.0 O10 B:4DY501 4.9 67.9 0.9 CG2 B:THR293 5.0 76.4 1.0

R.Maharjan, Y.Fukuda, T.Nakayama, T.Nakayama, H.Hamada, S.I.Ozaki, T.Inoue. Structural Basis For Substrate Recognition in the Phytolacca Americana Glycosyltransferase PAGT3. Acta Crystallogr D Struct V. 78 379 2022BIOL.
ISSN: ISSN 2059-7983
PubMed: 35234151
DOI: 10.1107/S2059798322000869