6GR1

Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with AMPCPP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Heat shock protein HSP 90-alpha	polymer	256	28801.2	1	UniProt (P07900) Pfam (PF13589) In PDB	Homo sapiens (Human)	Heat shock 86 kDa,HSP86,Lipopolysaccharide-associated protein 2,LPS-associated protein 2,Renal carcinoma antigen NY-REN-38
2	A	DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER	non-polymer		505.2	1	Chemie (APC)
3	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4		water	water		18.0	171	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
Arg 112	Lys 112	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	28801.2
Non-Polymers*	Number of molecules	2
	Total formula weight	529.5
All*	Total formula weight	29330.7

*Water molecules are not included.