3FT8

Structure of HSP90 bound with a noval fragment.

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)	HSP 86, Renal carcinoma antigen NY-REN-38
2	B (A)	(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime	non-polymer		363.4	1	Chemie (MOJ)
3	C (A)	water	water		18.0	171	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	1
	Total formula weight	363.4
All*	Total formula weight	28322.7

*Water molecules are not included.