7KAA

NMR solution structures of tirasemtiv drug bound to a fast skeletal troponin C-troponin I complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Troponin C, skeletal muscle,Troponin I, fast skeletal muscle chimera	polymer	152	17096.6	1	UniProt (P02585) UniProt (P48788) Pfam (PF13499) Pfam (PF00992)	Homo sapiens (Human)	Troponin I,fast-twitch isoform
2	B (A)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
3	C (A)	6-ethynyl-1-(pentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-ol	non-polymer		230.3	1	Chemie (W97)

Sequence modifications

A: 4 - 91 (UniProt: P02585)

PDB	External Database	Details
Met 1	-	initiating methionine
Ala 2	-	expression tag
Ser 3	-	expression tag
Gly 92	-	linker
Gly 93	-	linker
Ala 94	-	linker
Gly 95	-	linker
Gly 96	-	linker

A: 97 - 146 (UniProt: P48788)

PDB	External Database	Details
His 147	-	expression tag
His 148	-	expression tag
His 149	-	expression tag
His 150	-	expression tag
His 151	-	expression tag
His 152	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	17096.6
Non-Polymers*	Number of molecules	2
	Total formula weight	270.3
All*	Total formula weight	17367.0

*Water molecules are not included.