8W4V

Crystal structure of human HSP90 in complex with compound 4

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	241	27337.6	1	UniProt (P07900) Pfam (PF13589)	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	B (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
3	C (A)	4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol	non-polymer		275.4	1	Chemie (Q9O)
4	D (A)	water	water		18.0	198	Chemie (HOH)

Sequence modifications

A: 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	1
	Total formula weight	27337.6
Non-Polymers*	Number of molecules	2
	Total formula weight	299.7
All*	Total formula weight	27637.2

*Water molecules are not included.