1SHJ

Caspase-7 in complex with DICA allosteric inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Caspase-7	polymer	262	29941.0	2	UniProt (P55210) Pfam (PF00656) In PDB	Homo sapiens (human)	ICE-like apoptotic protease 3, ICE-LAP3, Apoptotic protease Mch-3, CMH-1
2	A, B	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
3	A, B	2-(2,4-DICHLORO-PHENOXY)-N-(2-MERCAPTO-ETHYL)-ACETAMIDE	non-polymer		280.2	2	Chemie (NXN)

Sequence modifications

A, B: 50 - 303 (UniProt: P55210)

PDB	External Database	Details
Ala 169	Asp 169	engineered mutation
Gln 304	-	expression tag
Leu 305	-	expression tag
His 306	-	expression tag
His 307	-	expression tag
His 308	-	expression tag
His 309	-	expression tag
His 310	-	expression tag
His 311	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	59882.0
Non-Polymers*	Number of molecules	5
	Total formula weight	848.5
All*	Total formula weight	60730.5

*Water molecules are not included.