4CE3: Hsp90 N-terminal Domain Bound To Macrolactam Analogues Of Radicicol

A series of macrolactam analogues of the naturally occurring resorcylic acid lactone radicicol have been synthesised from methyl orsellinate in 7 steps, involving chlorination, protection of the two phenolic groups, and hydrolysis to the benzoic acid. Formation of the dianion and quenching with a Weinreb amide results in acylation of the toluene methyl group that is followed by amide formation and ring closing metathesis to form the macrocyclic lactam. Final deprotection of the phenolic groups gives the desired macrolactams whose binding to the N-terminal domain of yeast Hsp90 was studied by isothermal titration calorimetry and protein X-ray crystallography.
PDB ID: 4CE3Download
MMDB ID: 116976
PDB Deposition Date: 2013/11/8
Updated in MMDB: 2014/02
Experimental Method:
x-ray diffraction
Resolution: 2.31  Å
Source Organism:
Similar Structures:
Biological Unit for 4CE3: dimeric; determined by software (PISA)
Molecular Components in 4CE3
Label Count Molecule
Proteins (2 molecules)
Atp-dependent Molecular Chaperone Hsp82(Gene symbol: HSP82)
Molecule annotation
Chemicals (2 molecules)
* Click molecule labels to explore molecular sequence information.

Citing MMDB