6CEO

Structure of Hsp90 NTD with a GRP94-selective resorcinylic inhibitor.

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	256	28773.1	1	UniProt (P07900) Pfam (PF13589)	Homo sapiens (Human)	Heat shock 86 kDa,HSP86,Lipopolysaccharide-associated protein 2,LPS-associated protein 2,Renal carcinoma antigen NY-REN-38
2	B (A)	dimethyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dihydroxybenzene-1,3-dicarboxylate	non-polymer		410.4	1	Chemie (D57)
3	C, D, E, F, G... (A)	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
4	I (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5	J (A)	water	water		18.0	159	Chemie (HOH)

Sequence modifications

A: 1 - 236 (UniProt: P07900)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	28773.1
Non-Polymers*	Number of molecules	8
	Total formula weight	618.3
All*	Total formula weight	29391.5

*Water molecules are not included.