3K98

HSP90 N-terminal domain in complex with (1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Heat shock protein HSP 90-alpha	polymer	232	26411.7	2	UniProt (P07900) Pfam (PF13589)	Homo sapiens (human)	HSP 86, Renal carcinoma antigen NY-REN-38
2	C, E (A, B)	(1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide	non-polymer		360.8	2	Chemie (1RC)
3	D (A)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
4	F, G (A, B)	water	water		18.0	132	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 8	-	initiating methionine
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
His 234	-	expression tag
His 235	-	expression tag
His 236	-	expression tag
His 237	-	expression tag
His 238	-	expression tag
His 239	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	52823.5
Non-Polymers*	Number of molecules	3
	Total formula weight	816.6
All*	Total formula weight	53640.0

*Water molecules are not included.