2XJJ

Structure of HSP90 with small molecule inhibitor bound

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	249	27929.4	2	UniProt (P07900) Pfam (PF13589)	HOMO SAPIENS (HUMAN)	HSP90, HEAT SHOCK 86 KDA, HSP 86, HSP86, RENAL CARCINOMA ANTIGEN NY-REN-38
2	C, E (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
3	D, F (A, B)	1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-3,3-DIMETHYL-1,2-DIHYDROINDOL-5-YL)METHANONE	non-polymer		308.4	2	Chemie (L81)
4	G, H (A, B)	water	water		18.0	515	Chemie (HOH)

Sequence modifications

A, B: 9 - 236 (UniProt: P07900)

PDB	External Database	Details
Met -12	-	expression tag
Gly -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
Ser -2	-	expression tag
Ser -1	-	expression tag
Gly 0	-	expression tag
Leu 1	-	expression tag
Val 2	-	expression tag
Pro 3	-	expression tag
Arg 4	-	expression tag
Gly 5	-	expression tag
Ser 6	-	expression tag
His 7	-	expression tag
Met 8	-	expression tag
Val 158	Glu 158	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	55858.7
Non-Polymers*	Number of molecules	4
	Total formula weight	800.9
All*	Total formula weight	56659.6

*Water molecules are not included.