3K97

HSP90 N-terminal domain in complex with 4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol

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	251	28472.9	1	UniProt (P07900) Pfam (PF13589)	Homo sapiens (human)	HSP 86, Renal carcinoma antigen NY-REN-38
2	B (A)	4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol	non-polymer		331.8	1	Chemie (4CD)
3	C (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
4	D (A)	water	water		18.0	150	Chemie (HOH)

Sequence modifications

A: 9 - 236 (UniProt: P07900)

PDB	External Database	Details
Met -14	-	expression tag
Lys -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
Asp -6	-	expression tag
Tyr -5	-	expression tag
Gly -4	-	expression tag
Ile -3	-	expression tag
Pro -2	-	expression tag
Thr -1	-	expression tag
Thr 0	-	expression tag
Glu 1	-	expression tag
Asn 2	-	expression tag
Leu 3	-	expression tag
Tyr 4	-	expression tag
Phe 5	-	expression tag
Gln 6	-	expression tag
Ala 7	-	expression tag
Leu 8	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	28472.9
Non-Polymers*	Number of molecules	2
	Total formula weight	409.9
All*	Total formula weight	28882.8

*Water molecules are not included.