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

The structure of Crystal Structure of Phytolacca Americana UGT3 with Udp-2FLUOROGLUCOSE, PDB code: 7vel 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)	35.05 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	94.218, 103.851, 110.009, 90, 90, 90
R / Rfree (%)	21.4 / 25.4

The structure of Crystal Structure of Phytolacca Americana UGT3 with 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 Udp-2FLUOROGLUCOSE (pdb code 7vel). 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 Udp-2FLUOROGLUCOSE, PDB code: 7vel:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Phytolacca Americana UGT3 with 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 Udp-2FLUOROGLUCOSE within 5.0Å range: probe atom residue distance (Å) B Occ A:F604 b:45.2 occ:1.00 F1 A:U2F604 0.0 45.2 1.0 C2 A:U2F604 1.4 41.5 1.0 C3 A:U2F604 2.3 31.2 1.0 C1 A:U2F604 2.3 40.2 1.0 O1 A:U2F604 2.6 39.7 1.0 O3 A:U2F604 2.7 37.1 1.0 NE2 A:GLN395 3.0 36.7 1.0 O5 A:U2F604 3.7 38.8 1.0 C4 A:U2F604 3.7 31.5 1.0 CE1 A:PHE392 3.8 44.3 1.0 PB A:U2F604 3.9 41.3 1.0 O2 A:EDO601 4.0 68.7 1.0 CZ A:PHE392 4.1 55.1 1.0 O1B A:U2F604 4.1 54.7 1.0 C5 A:U2F604 4.2 40.8 1.0 CE1 A:HIS370 4.2 53.7 1.0 CD A:GLN395 4.3 42.7 1.0 CB A:ALA393 4.6 34.0 1.0 C2 A:EDO601 4.6 49.7 1.0 O3A A:U2F604 4.6 58.2 1.0 ND1 A:HIS370 4.7 54.2 1.0 CD1 A:PHE392 4.7 45.0 1.0 O4 A:U2F604 4.8 32.4 1.0 CG A:GLN395 4.9 34.0 1.0 CA A:GLY372 4.9 31.4 1.0 O1 A:EDO601 5.0 58.7 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Phytolacca Americana UGT3 with 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 Udp-2FLUOROGLUCOSE within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:48.2 occ:1.00 F1 B:U2F501 0.0 48.2 1.0 C2 B:U2F501 1.4 41.7 1.0 C3 B:U2F501 2.3 41.6 1.0 C1 B:U2F501 2.4 42.3 1.0 O1 B:U2F501 2.7 57.0 1.0 O3 B:U2F501 2.8 37.6 1.0 NE2 B:GLN395 3.2 37.8 1.0 O2B B:U2F501 3.5 69.9 1.0 PB B:U2F501 3.7 51.1 1.0 C4 B:U2F501 3.7 38.3 1.0 O5 B:U2F501 3.7 46.0 1.0 CE1 B:PHE392 3.7 43.0 1.0 CZ B:PHE392 4.0 71.2 1.0 C5 B:U2F501 4.2 39.3 1.0 NE2 B:HIS370 4.3 51.4 1.0 CD B:GLN395 4.5 38.5 1.0 CD2 B:HIS370 4.6 44.1 1.0 CB B:ALA393 4.6 33.7 1.0 O3A B:U2F501 4.6 52.1 1.0 O4 B:U2F501 4.7 36.7 1.0 CD1 B:PHE392 4.8 42.8 1.0 O1B B:U2F501 4.8 53.0 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