6CJR

Candida albicans Hsp90 nucleotide binding domain in complex with SNX-2112

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Heat shock protein 90 homolog	polymer	230	26208.6	2	UniProt (P46598) Pfam (PF02518)	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)
2	C (A)	4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide	non-polymer		464.5	1	Chemie (E0G)
3	D (B)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4	E, F (A, B)	water	water		18.0	283	Chemie (HOH)

Sequence modifications

A, B: 7 - 218 (UniProt: P46598)

PDB	External Database	Details
Met -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
Ser -4	-	expression tag
Ser -3	-	expression tag
Gly -2	-	expression tag
Arg -1	-	expression tag
Glu 0	-	expression tag
Asn 1	-	expression tag
Leu 2	-	expression tag
Tyr 3	-	expression tag
Phe 4	-	expression tag
Gln 5	-	expression tag
Gly 6	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	52417.3
Non-Polymers*	Number of molecules	2
	Total formula weight	526.5
All*	Total formula weight	52943.8

*Water molecules are not included.