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Structure paper

TitleImpact of linker strain and flexibility in the design of a fragment-based inhibitor
Journal, issue, pagesNat. Chem. Biol., Vol. 5, Page 407-413, Year 2009
Publish dateNov 21, 2008 (structure data deposition date)
AuthorsChung, S. / Parker, J.B. / Bianchet, M. / Amzel, L.M. / Stivers, J.T.
External linksNat. Chem. Biol. / PubMed:19396178
MethodsX-ray diffraction
Resolution1.27 - 1.84 Å
Structure data

PDB-3fcf:
Complex of UNG2 and a fragment-based designed inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

PDB-3fci:
Complex of UNG2 and a fragment-based designed inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.27 Å

PDB-3fck:
Complex of UNG2 and a fragment-based design inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-3fcl:
Complex of UNG2 and a fragment-based designed inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-FCF:
3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid

ChemComp-SCN:
THIOCYANATE ION

ChemComp-HOH:
WATER

ChemComp-3FI:
3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid

ChemComp-NA:
Unknown entry

ChemComp-FCK:
3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid

ChemComp-3FL:
3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}butyl)amino]methyl}benzoic acid

Source
  • homo sapiens (human)
KeywordsHYDROLASE / DNA REPAIR / URACIL / URACIL DNA GLYCOSYLASE / Alternative splicing / Disease mutation / DNA damage / Glycosidase / Host-virus interaction / Mitochondrion / Nucleus / Phosphoprotein / Transit peptide

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