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Structure paper

TitleLove-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction.
Journal, issue, pagesBioorg. Med. Chem., Vol. 22, Page 5476-, Year 2014
Publish dateFeb 6, 2014 (structure data deposition date)
AuthorsFairhead, M. / Shen, D. / Chan, L.K.M. / Lowe, E.D. / Donohoe, T.J. / Howarth, M.
External linksBioorg. Med. Chem. / PubMed:25128469
MethodsX-ray diffraction
Resolution1.06 - 1.64 Å
Structure data

PDB-4cpe:
Wild-type streptavidin in complex with love-hate ligand 1 (LH1)
Method: X-RAY DIFFRACTION / Resolution: 1.06 Å

PDB-4cpf:
Wild-type streptavidin in complex with love-hate ligand 3 (LH3)
Method: X-RAY DIFFRACTION / Resolution: 1.14 Å

PDB-4cph:
trans-divalent streptavidin with love-hate ligand 4
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-4cpi:
streptavidin A86D mutant with love-hate ligand 4
Method: X-RAY DIFFRACTION / Resolution: 1.54 Å

Chemicals

ChemComp-LUV:
(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide

ChemComp-HOH:
WATER

ChemComp-LH3:
methyl 4-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H- thieno[3,4-d]imidazolidin-4-yl]pentanehydrazido}-3- [4-(methoxycarbonyl)phenyl]phenyl)benzoate

ChemComp-LH4:
5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-CA:
Unknown entry

Source
  • streptomyces avidinii (bacteria)
KeywordsBIOTIN-BINDING PROTEIN / AVIDIN / BIOTIN / STRAIN / BIOTINYLATED / STERIC CLASH / STRAINED / HINDERED / FORCE / LIGAND SERIES / AFFINITY / BIOTIN BINDING PROTEIN

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