2XDU

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	HEAT SHOCK PROTEIN HSP 90-ALPHA	polymer	236	26424.8	1	UniProt (P07900) Pfam (PF13589) In PDB	HOMO SAPIENS (HUMAN)	HEAT SHOCK 86 KDA, HSP 86, HSP86, RENAL CARCINOMA ANTIGEN NY-REN-38, HSP90
2	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
3	A	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
4	A	PYRIMIDIN-2-AMINE	non-polymer		95.1	1	Chemie (LGA)
5	A	1-CHLORO-4-METHYLPHTHALAZINE	non-polymer		178.6	1	Chemie (MT0)
6		water	water		18.0	231	Chemie (HOH)

Sequence modifications

A: 14 - 224 (UniProt: P07900)

PDB	External Database	Details
Met -11	-	expression tag
Gly -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
Gly 1	-	expression tag
Leu 2	-	expression tag
Val 3	-	expression tag
Pro 4	-	expression tag
Arg 5	-	expression tag
Gly 6	-	expression tag
Ser 7	-	expression tag
His 8	-	expression tag
Met 9	-	expression tag
Asp 10	-	expression tag
Gln 11	-	expression tag
Pro 12	-	expression tag
Met 13	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	26424.8
Non-Polymers*	Number of molecules	4
	Total formula weight	376.2
All*	Total formula weight	26801.0

*Water molecules are not included.