8AGL

Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with JMC31

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Heat shock protein HSP 90-alpha	polymer	256	28801.2	2	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, B	1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide	non-polymer		491.6	2	Chemie (M0U)
3		water	water		18.0	125	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	57602.3
Non-Polymers*	Number of molecules	2
	Total formula weight	983.3
All*	Total formula weight	58585.6

*Water molecules are not included.