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

The structure of Structure of Phytolacca Americana UGT2 Complexed with Udp-2FLUORO- Glucose and Pterostilbene, PDB code: 6jen 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)	49.68 / 2.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.718, 136.883, 205.136, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 24.8

The binding sites of Fluorine atom in the Structure of Phytolacca Americana UGT2 Complexed with Udp-2FLUORO- Glucose and Pterostilbene (pdb code 6jen). 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 Pterostilbene, PDB code: 6jen:
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 Pterostilbene


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 Pterostilbene within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:75.3 occ:1.00 F1 A:U2F502 0.0 75.3 1.0 C2 A:U2F502 1.4 93.3 1.0 C3 A:U2F502 2.4 80.2 1.0 C1 A:U2F502 2.4 92.0 1.0 O1 A:U2F502 2.7 98.6 1.0 O3 A:U2F502 2.8 80.7 1.0 NE2 A:GLN386 3.0 48.8 1.0 CE2 A:TYR383 3.5 65.8 1.0 OH A:TYR383 3.6 81.2 1.0 O5 A:U2F502 3.6 92.6 1.0 C4 A:U2F502 3.7 70.5 1.0 CZ A:TYR383 3.7 68.5 1.0 PB A:U2F502 3.9 86.3 1.0 O1B A:U2F502 3.9 0.3 1.0 C5 A:U2F502 4.1 80.1 1.0 CD A:GLN386 4.3 56.3 1.0 NE2 A:HIS361 4.3 71.8 1.0 CD2 A:TYR383 4.3 68.6 1.0 O3A A:U2F502 4.4 85.5 1.0 CA A:GLY363 4.4 49.4 1.0 CB A:ALA384 4.5 48.8 1.0 CAI A:3RL501 4.6 0.1 1.0 CD2 A:HIS361 4.7 63.8 1.0 O4 A:U2F502 4.8 74.7 1.0 CE1 A:TYR383 4.8 80.3 1.0 CAD A:3RL501 4.8 0.8 1.0 CG A:GLN386 4.8 49.8 1.0 CAP A:3RL501 4.9 0.4 1.0 OE2 A:GLU385 5.0 67.6 1.0

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


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 Pterostilbene within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:69.5 occ:1.00 F1 B:U2F502 0.0 69.5 1.0 C2 B:U2F502 1.4 83.3 1.0 C3 B:U2F502 2.4 75.0 1.0 C1 B:U2F502 2.4 83.5 1.0 O1 B:U2F502 2.7 90.0 1.0 O3 B:U2F502 2.8 66.3 1.0 NE2 B:GLN386 3.2 55.4 1.0 CE2 B:TYR383 3.4 79.6 1.0 OH B:TYR383 3.6 86.2 1.0 O5 B:U2F502 3.6 84.0 1.0 O2B B:U2F502 3.7 82.0 1.0 C4 B:U2F502 3.7 78.2 1.0 PB B:U2F502 3.7 81.2 1.0 CZ B:TYR383 3.7 80.5 1.0 C5 B:U2F502 4.1 82.1 1.0 O3A B:U2F502 4.1 82.1 1.0 CD2 B:TYR383 4.3 83.1 1.0 NE2 B:HIS361 4.4 72.5 1.0 CB B:ALA384 4.4 56.8 1.0 CD B:GLN386 4.4 70.0 1.0 CA B:GLY363 4.7 62.4 1.0 CD2 B:HIS361 4.7 62.9 1.0 O4 B:U2F502 4.8 62.2 1.0 CAP B:3RL501 4.8 0.8 1.0 CE1 B:TYR383 4.8 88.2 1.0 CAD B:3RL501 4.8 1.0 1.0 O1A B:U2F502 4.9 80.7 1.0 CG B:GLN386 5.0 71.0 1.0

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


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 Pterostilbene within 5.0Å range: probe atom residue distance (Å) B Occ C:F502 b:73.4 occ:1.00 F1 C:U2F502 0.0 73.4 1.0 C2 C:U2F502 1.4 71.6 1.0 C3 C:U2F502 2.4 75.3 1.0 C1 C:U2F502 2.4 65.5 1.0 O1 C:U2F502 2.7 69.5 1.0 NE2 C:GLN386 2.8 54.0 1.0 O3 C:U2F502 2.9 77.9 1.0 CE2 C:TYR383 3.1 58.4 1.0 CZ C:TYR383 3.5 55.8 1.0 O5 C:U2F502 3.6 74.0 1.0 OH C:TYR383 3.7 62.7 1.0 C4 C:U2F502 3.7 74.9 1.0 CD2 C:TYR383 3.9 64.1 1.0 C5 C:U2F502 4.1 72.9 1.0 PB C:U2F502 4.1 77.7 1.0 CD C:GLN386 4.1 63.3 1.0 CB C:ALA384 4.2 50.7 1.0 CAI C:3RL501 4.3 0.6 1.0 O2B C:U2F502 4.4 91.4 1.0 NE2 C:HIS361 4.4 0.6 1.0 CAG C:3RL501 4.5 97.4 1.0 CE1 C:TYR383 4.6 65.1 1.0 CD2 C:HIS361 4.7 80.5 1.0 CAP C:3RL501 4.7 0.8 1.0 O3A C:U2F502 4.7 81.8 1.0 CG C:GLN386 4.7 58.2 1.0 O4 C:U2F502 4.8 65.0 1.0 CA C:GLY363 4.8 67.8 1.0 CG C:TYR383 4.9 52.9 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.