3Q5K

Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of an inhibitor

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 83-1	polymer	231	26110.5	1	UniProt (Q4Q4I6) Pfam (PF02518) In PDB	Leishmania major
2	A	4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-{[2-(methylsulfanyl)ethyl]amino}benzamide	non-polymer		440.5	1	Chemie (D1U)
3		water	water		18.0	17	Chemie (HOH)

Sequence modifications

A: 1 - 213 (UniProt: Q4Q4I6)

PDB	External Database	Details
Met -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
Arg -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	26110.5
Non-Polymers*	Number of molecules	1
	Total formula weight	440.5
All*	Total formula weight	26550.9

*Water molecules are not included.