Fluorine in PDB 6jem: Structure of Phytolacca Americana UGT2 Complexed with Udp-2FLUORO- Glucose and Resveratrol

The structure of Structure of Phytolacca Americana UGT2 Complexed with Udp-2FLUORO- Glucose and Resveratrol, PDB code: 6jem was solved by R.Maharjan, Y.Fukuda, 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)	44.85 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.374, 137.616, 208.956, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 25.2

The binding sites of Fluorine atom in the Structure of Phytolacca Americana UGT2 Complexed with Udp-2FLUORO- Glucose and Resveratrol (pdb code 6jem). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Structure of Phytolacca Americana UGT2 Complexed with Udp-2FLUORO- Glucose and Resveratrol, PDB code: 6jem:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Structure of Phytolacca Americana UGT2 Complexed with Udp-2FLUORO- Glucose and Resveratrol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Phytolacca Americana UGT2 Complexed with Udp-2FLUORO- Glucose and Resveratrol within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:98.1 occ:1.00 F1 A:U2F501 0.0 98.1 1.0 C2 A:U2F501 1.4 93.6 1.0 O1B A:U2F501 2.3 0.5 1.0 C3 A:U2F501 2.4 85.9 1.0 C1 A:U2F501 2.4 0.9 1.0 O1 A:U2F501 2.7 0.1 1.0 O3 A:U2F501 2.8 66.6 1.0 PB A:U2F501 2.9 90.5 1.0 OH A:TYR383 3.2 71.1 1.0 O3A A:U2F501 3.5 85.3 1.0 O5 A:U2F501 3.6 0.5 1.0 CE2 A:TYR383 3.7 70.5 1.0 NE2 A:GLN386 3.7 45.4 1.0 CZ A:TYR383 3.7 70.8 1.0 C4 A:U2F501 3.7 85.0 1.0 C5 A:U2F501 4.1 93.4 1.0 NE2 A:HIS361 4.3 65.6 1.0 O2B A:U2F501 4.3 96.0 1.0 O1A A:U2F501 4.6 68.1 1.0 PA A:U2F501 4.6 79.6 1.0 CD2 A:TYR383 4.8 67.1 1.0 O4 A:U2F501 4.8 64.0 1.0 CA A:GLY363 4.8 39.5 1.0 CE1 A:TYR383 4.8 70.9 1.0 CD2 A:HIS361 4.9 66.2 1.0 CD A:GLN386 5.0 45.7 1.0

Fluorine binding site 2 out of 3 in the Structure of Phytolacca Americana UGT2 Complexed with Udp-2FLUORO- Glucose and Resveratrol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Phytolacca Americana UGT2 Complexed with Udp-2FLUORO- Glucose and Resveratrol within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:70.8 occ:1.00 F1 B:U2F501 0.0 70.8 1.0 C2 B:U2F501 1.4 85.5 1.0 C3 B:U2F501 2.4 86.2 1.0 C1 B:U2F501 2.4 86.0 1.0 O1 B:U2F501 2.7 78.9 1.0 O3 B:U2F501 2.8 82.1 1.0 NE2 B:GLN386 3.1 57.9 1.0 OH B:TYR383 3.4 71.4 1.0 CE2 B:TYR383 3.4 84.1 1.0 O5 B:U2F501 3.6 88.0 1.0 CZ B:TYR383 3.7 81.7 1.0 C4 B:U2F501 3.7 86.7 1.0 O2B B:U2F501 3.8 71.0 1.0 PB B:U2F501 3.8 79.9 1.0 C5 B:U2F501 4.1 88.4 1.0 O3A B:U2F501 4.3 71.0 1.0 CD2 B:TYR383 4.4 89.5 1.0 CD B:GLN386 4.4 65.4 1.0 NE2 B:HIS361 4.5 85.6 1.0 CB B:ALA384 4.5 68.6 1.0 CA B:GLY363 4.7 53.9 1.0 CE1 B:TYR383 4.7 89.3 1.0 C10 B:STL502 4.8 0.9 1.0 O4 B:U2F501 4.8 74.0 1.0 C11 B:STL502 4.8 0.2 1.0 CD2 B:HIS361 4.9 83.8 1.0 CG B:GLN386 4.9 66.8 1.0

Fluorine binding site 3 out of 3 in the Structure of Phytolacca Americana UGT2 Complexed with Udp-2FLUORO- Glucose and Resveratrol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Phytolacca Americana UGT2 Complexed with Udp-2FLUORO- Glucose and Resveratrol within 5.0Å range: probe atom residue distance (Å) B Occ C:F501 b:80.0 occ:1.00 F1 C:U2F501 0.0 80.0 1.0 C2 C:U2F501 1.4 65.6 1.0 C1 C:U2F501 2.4 60.8 1.0 C3 C:U2F501 2.4 65.6 1.0 NE2 C:GLN386 2.6 48.2 1.0 O1 C:U2F501 2.7 65.1 1.0 O3 C:U2F501 2.8 60.2 1.0 CE2 C:TYR383 3.2 69.3 1.0 OH C:TYR383 3.3 64.5 1.0 CZ C:TYR383 3.4 63.7 1.0 O5 C:U2F501 3.6 68.0 1.0 C4 C:U2F501 3.7 64.1 1.0 CD C:GLN386 3.9 59.7 1.0 CD2 C:TYR383 4.1 73.2 1.0 C5 C:U2F501 4.1 65.6 1.0 PB C:U2F501 4.1 67.3 1.0 CB C:ALA384 4.2 51.3 1.0 NE2 C:HIS361 4.3 98.3 1.0 CE1 C:TYR383 4.4 72.7 1.0 O2B C:U2F501 4.4 86.7 1.0 CG C:GLN386 4.5 54.7 1.0 C14 C:STL502 4.6 0.3 1.0 CD2 C:HIS361 4.6 83.7 1.0 CA C:GLY363 4.7 61.2 1.0 O3A C:U2F501 4.7 73.0 1.0 O4 C:U2F501 4.8 64.8 1.0 OE1 C:GLU385 4.9 55.0 1.0 OE1 C:GLN386 4.9 56.0 1.0 CG C:TYR383 4.9 67.9 1.0 C9 C:STL502 4.9 1.0 1.0

R.Maharjan, Y.Fukuda, T.Nakayama, H.Hamada, S.Ozaki, T.Inoue. Phytolacca Americana PAGT2 Is An Ambidextrous Polyphenol Glycosyltransferase To Be Published.