streptavidin A86D mutant with love-hate ligand 4

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

Love-Hate Ligands for High Resolution Analysis of Strain in Ultra-Stable Protein/Small Molecule Interaction.

CONDITION A9 OF THE MORPHEUS SCREEN: 0.1 M BICINE/TRIZMA BASE PH 8.5, 10% W/V POLYETHYLENE GLYCOL 20,000, 20% V/V POLYETHYLENE GLYCOL MONOMETHYL ETHER 550, 30 MM MAGNESIUM CHLORIDE AND 30 MM CALCIUM CHLORIDE. SITTING DROP.

WILD-TYPE STREPTAVIDIN IN COMPLEX WITH LOVE-HATE LIGAND 1 (LH1)

WILD-TYPE STREPTAVIDIN IN COMPLEX WITH LOVE-HATE LIGAND 3 (LH3)

TRANS-DIVALENT STREPTAVIDIN WITH LOVE-HATE LIGAND 4

SHEET
DETERMINATION METHOD: DSSP
THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS
BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY
A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS
ARE IDENTICAL.

THE SHEETS PRESENTED AS "BA" IN EACH CHAIN ON SHEET RECORDS
BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY
A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS
ARE IDENTICAL.

THE SHEETS PRESENTED AS "CA" IN EACH CHAIN ON SHEET RECORDS
BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY
A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS
ARE IDENTICAL.

THE SHEETS PRESENTED AS "DA" IN EACH CHAIN ON SHEET RECORDS
BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY
A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS
ARE IDENTICAL.

N-TERMINAL METHIONINE REMOVED IN MATURE PROTEIN, ALANINE 86 ASPARTATE MUTATION

RESIDUES 46-48 ARE MODELLED STEREOCHEMICALLY DUE TO POOR DENSITY IN CHAINS A AND D. 46-48 ARE OMITTED FROM CHAINS B AND C. LH4 B1000 AND C1000 REPRESENT LH4 SHOWN WITHOUT THE AROMATIC HEADGROUP BECAUSE OF WEAK ELECTRON DENSITY

BIOTIN BINDING PROTEIN, AVIDIN, BIOTIN, STRAIN, BIOTINYLATED, STERIC CLASH, STRAINED, HINDERED, FORCE, LIGAND SERIES, AFFINITY