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

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).

Ligands and binding sites

• NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
• UGF · (2~{R},3~{S},4~{R},5~{R},6~{R})-6-[[[(2~{R},3~{S}, 4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidany l)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4, 5-bis(oxidanyl)oxane-2-carboxylic acid · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 133 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

• 6ZLJ · Crystal Structure of UDP-Glucuronic acid 4-epimerase Y149F mutant from Bacillus cereus in… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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• Every structure of UniProt J8BY31
• Elsewhere: RCSB PDB 6ZLJ · PDBe 6ZLJ · UniProt J8BY31