Crystal structure of human dutpase in complex with N-[(1R)-1-[3- (cyclopentyloxy)-phenyl]-ethyl]-3-[(3,4-dihydro-2,4-dioxo-1(2H)- PYRIMIDINYL)METHOXY]-1-propanesulfonamide

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 42% strand (DSSP).

Ligands and binding sites

• FKM · N-[(1R)-1-[3-(Cyclopentyloxy)-phenyl]-ethyl]-3-[(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methoxy]-1-propanesulfonamide · ligand · chains A
• ZN · Zinc ion · metal · chains A
• IMD · Imidazole · additive · chains A
• DMS · Dimethyl sulfoxide · additive · chains A

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

Modifications

Observed in the structure: 1 covalent (additive adduct).

Compared structures

• 5H4J · Crystal structure of Human dUTPase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
• P33316 · AlphaFold monomer V2.0 prediction for deoxyuridine 5'-triphosphate nucleotidohydrolase… · a predicted model of the same protein · chain A against A, TM-score 0.98

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P33316
• Elsewhere: RCSB PDB 5H4J · PDBe 5H4J · UniProt P33316