8W8K

Crystal structures of HSP90 and the compound Ganetespid in the "closed" conformation

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Heat shock protein HSP 90-alpha	polymer	241	27337.6	2	UniProt (P07900) Pfam (PF13589) In PDB	Homo sapiens (human)	Heat shock 86 kDa,HSP 86,HSP86,Lipopolysaccharide-associated protein 2,LAP-2,LPS-associated protein 2,Renal carcinoma antigen NY-REN-38
2	A, B	5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one	non-polymer		364.4	2	Chemie (TUH)
3	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4		water	water		18.0	260	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
Glu 2	-	expression tag
Asn 3	-	expression tag
Leu 4	-	expression tag
Tyr 5	-	expression tag
Phe 6	-	expression tag
Gln 7	-	expression tag
Gly 8	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	54675.1
Non-Polymers*	Number of molecules	3
	Total formula weight	753.1
All*	Total formula weight	55428.2

*Water molecules are not included.