Fluorine in PDB 6zlj: Crystal Structure of Udp-Glucuronic Acid 4-Epimerase Y149F Mutant From Bacillus Cereus in Complex with Udp-4-Deoxy-4-Fluoro-Glucuronic Acid and Nad

The structure of Crystal Structure of Udp-Glucuronic Acid 4-Epimerase Y149F Mutant From Bacillus Cereus in Complex with Udp-4-Deoxy-4-Fluoro-Glucuronic Acid and Nad, PDB code: 6zlj was solved by L.G.Iacovino, A.Mattevi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.25 / 1.70
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	42.199, 58.222, 64.439, 97.25, 98.18, 109.93
R / Rfree (%)	17.3 / 21.5

The binding sites of Fluorine atom in the Crystal Structure of Udp-Glucuronic Acid 4-Epimerase Y149F Mutant From Bacillus Cereus in Complex with Udp-4-Deoxy-4-Fluoro-Glucuronic Acid and Nad (pdb code 6zlj). 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 Udp-Glucuronic Acid 4-Epimerase Y149F Mutant From Bacillus Cereus in Complex with Udp-4-Deoxy-4-Fluoro-Glucuronic Acid and Nad, PDB code: 6zlj:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Udp-Glucuronic Acid 4-Epimerase Y149F Mutant From Bacillus Cereus in Complex with Udp-4-Deoxy-4-Fluoro-Glucuronic Acid and Nad


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 Udp-Glucuronic Acid 4-Epimerase Y149F Mutant From Bacillus Cereus in Complex with Udp-4-Deoxy-4-Fluoro-Glucuronic Acid and Nad within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:40.7 occ:1.00 F4' A:UGF402 0.0 40.7 1.0 C4' A:UGF402 1.4 41.0 1.0 C5' A:UGF402 2.3 45.4 1.0 C3' A:UGF402 2.5 38.0 1.0 OG1 A:THR126 2.5 28.4 1.0 O A:HOH501 2.5 36.2 1.0 O'Q A:UGF402 2.6 51.9 1.0 C6' A:UGF402 2.9 45.0 1.0 O3' A:UGF402 3.0 37.4 1.0 OG A:SER128 3.2 34.2 1.0 CE2 A:PHE149 3.3 24.6 1.0 CB A:THR126 3.5 25.4 1.0 O5' A:UGF402 3.6 38.9 1.0 CZ A:PHE149 3.6 24.0 1.0 C2' A:UGF402 3.7 37.6 1.0 C5N A:NAD401 3.9 23.0 1.0 C1' A:UGF402 4.1 39.4 1.0 CB A:SER128 4.1 27.1 1.0 O'P A:UGF402 4.1 44.3 1.0 CG2 A:VAL87 4.2 35.0 1.0 CG2 A:THR126 4.2 27.9 1.0 C4N A:NAD401 4.2 22.9 1.0 O3B A:UGF402 4.3 33.0 1.0 C6N A:NAD401 4.5 23.8 1.0 O A:PRO85 4.5 36.9 1.0 CD2 A:PHE149 4.5 24.1 1.0 C3N A:NAD401 4.7 21.9 1.0 N A:SER128 4.7 23.5 1.0 CA A:THR126 4.7 20.5 1.0 O2' A:UGF402 4.8 38.6 1.0 CE1 A:PHE149 4.9 25.2 1.0 O A:HOH557 4.9 39.7 1.0 N1N A:NAD401 4.9 23.0 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Udp-Glucuronic Acid 4-Epimerase Y149F Mutant From Bacillus Cereus in Complex with Udp-4-Deoxy-4-Fluoro-Glucuronic Acid and Nad


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 Udp-Glucuronic Acid 4-Epimerase Y149F Mutant From Bacillus Cereus in Complex with Udp-4-Deoxy-4-Fluoro-Glucuronic Acid and Nad within 5.0Å range: probe atom residue distance (Å) B Occ B:F802 b:41.1 occ:1.00 F4' B:UGF802 0.0 41.1 1.0 C4' B:UGF802 1.3 45.7 1.0 O B:HOH901 2.3 38.8 1.0 C5' B:UGF802 2.3 46.1 1.0 C3' B:UGF802 2.4 43.2 1.0 OG1 B:THR126 2.6 29.9 1.0 C6' B:UGF802 2.8 48.9 1.0 O3' B:UGF802 3.0 43.0 1.0 O'Q B:UGF802 3.1 59.7 1.0 CE2 B:PHE149 3.2 27.1 1.0 OG B:SER128 3.3 30.2 1.0 CZ B:PHE149 3.4 25.9 1.0 O5' B:UGF802 3.5 43.7 1.0 CB B:THR126 3.5 23.7 1.0 O'P B:UGF802 3.7 39.0 1.0 C2' B:UGF802 3.7 39.7 1.0 C5N B:NAD801 3.8 23.9 1.0 C1' B:UGF802 4.0 40.6 1.0 C4N B:NAD801 4.1 25.3 1.0 CB B:SER128 4.1 25.5 1.0 CG2 B:THR126 4.1 26.1 1.0 C6N B:NAD801 4.3 25.6 1.0 CG2 B:VAL87 4.4 42.2 1.0 O B:PRO85 4.4 38.7 1.0 O3B B:UGF802 4.4 35.9 1.0 CD2 B:PHE149 4.4 27.4 1.0 C3N B:NAD801 4.6 24.6 1.0 O2' B:UGF802 4.7 38.3 1.0 CA B:THR126 4.7 22.6 1.0 CE1 B:PHE149 4.7 25.3 1.0 N1N B:NAD801 4.8 21.8 1.0 N B:SER128 4.9 23.9 1.0 C2N B:NAD801 4.9 23.3 1.0 O2D B:NAD801 4.9 24.9 1.0

L.G.Iacovino, S.Savino, A.J.E.Borg, C.Binda, B.Nidetzky, A.Mattevi. Crystallographic Snapshots of Udp-Glucuronic Acid 4-Epimerase Ligand Binding, Rotation, and Reduction. J.Biol.Chem. V. 295 12461 2020.
ISSN: ESSN 1083-351X
PubMed: 32661196
DOI: 10.1074/JBC.RA120.014692