Fluorine in PDB 9j9k: Glucosyl Transferase NBUGT72AY1 Co-Crystallized with Scopoletin and UDP2F Glucose

The structure of Glucosyl Transferase NBUGT72AY1 Co-Crystallized with Scopoletin and UDP2F Glucose, PDB code: 9j9k was solved by S.T.Arold, U.F.S.Hameed, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.83 / 3.15
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.607, 114.919, 104.249, 90, 103.12, 90
R / Rfree (%)	19 / 25.8

The binding sites of Fluorine atom in the Glucosyl Transferase NBUGT72AY1 Co-Crystallized with Scopoletin and UDP2F Glucose (pdb code 9j9k). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Glucosyl Transferase NBUGT72AY1 Co-Crystallized with Scopoletin and UDP2F Glucose, PDB code: 9j9k:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Glucosyl Transferase NBUGT72AY1 Co-Crystallized with Scopoletin and UDP2F Glucose


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Glucosyl Transferase NBUGT72AY1 Co-Crystallized with Scopoletin and UDP2F Glucose within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:100.8 occ:1.00 F1 A:U2F502 0.0 100.8 1.0 C2 A:U2F502 1.4 107.0 1.0 C1 A:U2F502 2.4 95.7 1.0 C3 A:U2F502 2.4 110.6 1.0 NE2 A:GLN393 2.6 52.9 1.0 O1 A:U2F502 2.7 78.4 1.0 O3 A:U2F502 2.8 109.4 1.0 NE2 A:HIS390 3.1 56.4 1.0 CB A:ALA391 3.4 57.1 1.0 CD2 A:HIS390 3.6 55.2 1.0 O5 A:U2F502 3.6 104.0 1.0 C4 A:U2F502 3.7 105.3 1.0 CE1 A:HIS390 3.8 57.4 1.0 CD A:GLN393 3.8 47.1 1.0 PB A:U2F502 4.0 62.9 1.0 C5 A:U2F502 4.2 103.7 1.0 O2B A:U2F502 4.3 67.0 1.0 CG A:GLN393 4.3 43.5 1.0 CG A:HIS390 4.4 54.9 1.0 ND1 A:HIS390 4.5 55.6 1.0 OE1 A:GLU392 4.5 67.7 1.0 NE2 A:HIS368 4.6 39.6 1.0 O1B A:U2F502 4.6 55.9 1.0 O A:HIS390 4.6 54.2 1.0 CA A:ALA391 4.7 54.4 1.0 CD2 A:HIS368 4.8 41.5 1.0 O4 A:U2F502 4.8 91.9 1.0 OE1 A:GLN393 4.8 45.0 1.0 C A:HIS390 4.9 50.4 1.0 N A:ALA391 4.9 51.4 1.0 OAC A:T83501 5.0 100.1 1.0

Fluorine binding site 2 out of 2 in the Glucosyl Transferase NBUGT72AY1 Co-Crystallized with Scopoletin and UDP2F Glucose


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Glucosyl Transferase NBUGT72AY1 Co-Crystallized with Scopoletin and UDP2F Glucose within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:119.3 occ:1.00 F1 B:U2F502 0.0 119.3 1.0 C2 B:U2F502 1.4 151.9 1.0 O1A B:U2F502 2.2 58.0 1.0 C1 B:U2F502 2.4 146.3 1.0 C3 B:U2F502 2.4 182.8 1.0 O1 B:U2F502 2.6 103.1 1.0 O3 B:U2F502 2.9 183.9 1.0 N B:TRP371 3.0 64.2 1.0 PA B:U2F502 3.0 66.5 1.0 CA B:GLY370 3.2 62.5 1.0 O2A B:U2F502 3.3 68.8 1.0 C B:GLY370 3.4 66.2 1.0 O3A B:U2F502 3.6 80.4 1.0 O5 B:U2F502 3.6 170.8 1.0 C4 B:U2F502 3.7 202.8 1.0 PB B:U2F502 3.8 79.5 1.0 C5 B:U2F502 4.1 195.5 1.0 CA B:TRP371 4.1 60.7 1.0 N B:ASN372 4.2 58.8 1.0 ND2 B:ASN372 4.2 66.8 1.0 OE2 B:GLU392 4.5 74.3 1.0 CB B:TRP371 4.5 58.5 1.0 O5' B:U2F502 4.5 63.4 1.0 O B:GLY370 4.5 70.8 1.0 N B:GLY370 4.6 59.4 1.0 C B:TRP371 4.7 59.5 1.0 O1B B:U2F502 4.7 79.7 1.0 O2B B:U2F502 4.7 75.4 1.0 O4 B:U2F502 4.8 219.9 1.0 NE2 B:HIS368 4.8 69.3 1.0

S.T.Arold, U.F.S.Hameed. Glucosyl Transferase NBUGT72AY1 Co-Crystallized with Scopoletin and UDP2F Glucose To Be Published.