3EKR

Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Heat shock protein HSP 90-alpha	polymer	226	25582.8	2	UniProt (P07900) Pfam (PF13589) In PDB	Homo sapiens	HSP 86, Renal carcinoma antigen NY-REN-38
2	A, B	4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol	non-polymer		297.3	2	Chemie (PY9)
3	B	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
4		water	water		18.0	266	Chemie (HOH)

Sequence modifications

A, B: 9 - 225 (UniProt: P07900)

PDB	External Database	Details
Met 8	-	expression tag
Leu 226	-	expression tag
Glu 227	-	expression tag
His 228	-	expression tag
His 229	-	expression tag
His 230	-	expression tag
His 231	-	expression tag
His 232	-	expression tag
His 233	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	51165.7
Non-Polymers*	Number of molecules	3
	Total formula weight	689.7
All*	Total formula weight	51855.4

*Water molecules are not included.