2XDS

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 (A)	HEAT SHOCK PROTEIN HSP 90-ALPHA	polymer	249	27959.3	1	UniProt (P07900) Pfam (PF13589)	HOMO SAPIENS (HUMAN)	HEAT SHOCK 86 KDA, HSP86, RENAL CARCINOMA ANTIGEN NY-REN-38HSP90
2	B (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
3	C (A)	1-CHLORO-4-METHYLPHTHALAZINE	non-polymer		178.6	1	Chemie (MT0)
4	D (A)	water	water		18.0	252	Chemie (HOH)

Sequence modifications

A: 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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	27959.3
Non-Polymers*	Number of molecules	2
	Total formula weight	256.8
All*	Total formula weight	28216.1

*Water molecules are not included.