3K99

HSP90 N-terminal domain in complex with 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Heat shock protein HSP 90-alpha	polymer	232	26411.7	4	UniProt (P07900) Pfam (PF13589) In PDB	Homo sapiens (human)	HSP 86, Renal carcinoma antigen NY-REN-38
2	A, B, C, D	4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol	non-polymer		255.3	4	Chemie (PFT)
3		water	water		18.0	389	Chemie (HOH)

Sequence modifications

A, B, C, D: 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	4
	Total formula weight	105646.9
Non-Polymers*	Number of molecules	4
	Total formula weight	1021.1
All*	Total formula weight	106668.0

*Water molecules are not included.