PDBsum entry 2yeh

Chaperone

PDB id: 2yeh

Contents

Protein chain

209 a.a.

Ligands

SO4

2KU

Waters ×225

PDB id:

2yeh

Name:

Chaperone

Title:

Hsp90 inhibitors and drugs from fragment and virtual screening

Structure:

Heat shock protein hsp 90-alpha. Chain: a. Fragment: n-terminal atp-binding domain, residues 9-236. Synonym: heat shock 86 kda, hsp 86, hsp86, renal carcinoma antigen ny-ren-38. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Organ: skin. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

2.10Å R-factor: 0.214 R-free: 0.291

Authors:

S.D.Roughley,R.E.Hubbard,L.M.Baker

Key ref:

S.D.Roughley and R.E.Hubbard (2011). How well can fragments explore accessed chemical space? A case study from heat shock protein 90. J Med Chem, 54, 3989-4005. PubMed id: 21561141

Date:

25-Mar-11 Release date: 15-Jun-11

Protein chain

P07900  (HS90A_HUMAN) -  Heat shock protein HSP 90-alpha from Homo sapiens

Seq: 732 a.a.

Struc: 209 a.a.

Enzyme reactions

• Enzyme class: E.C.3.6.4.10 - non-chaperonin molecular chaperone ATPase.
• Reaction: ATP + H2O = ADP + phosphate + H⁺

ATP + H2O = ADP (Bound ligand (Het Group name = 2KU) matches with 50.00% similarity) + phosphate + H(+)

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

J Med Chem 54:3989-4005 (2011)

PubMed id: 21561141

How well can fragments explore accessed chemical space? A case study from heat shock protein 90.

S.D.Roughley, R.E.Hubbard.

ABSTRACT

No abstract given.