4JQL

Synthesis of Benzoquinone-Ansamycin-Inspired Macrocyclic Lactams from Shikimic Acid

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)	Heat shock 86 kDa, HSP 86, HSP86, Renal carcinoma antigen NY-REN-38
2	B (A)	valerjesomycin	non-polymer		563.6	1	Chemie (VJ6)
3	C (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	D (A)	water	water		18.0	276	Chemie (HOH)

Sequence modifications

A: 9 - 236 (UniProt: P07900)

PDB	External Database	Details
Met -20	-	expression tag
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	27959.3
Non-Polymers*	Number of molecules	2
	Total formula weight	587.9
All*	Total formula weight	28547.3

*Water molecules are not included.