6X8I

Caspase-3 in complex with ketomethylene inhibitor reveals tetrahedral adduct

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-3	polymer	175	19759.3	2	UniProt (P42574) Pfam (PF00656) In PDB	Homo sapiens (Human)	CASP-3,Apopain,Cysteine protease CPP32,CPP-32,Protein Yama,SREBP cleavage activity 1,SCA-1
2	C, D	Caspase-3	polymer	110	12981.8	2	UniProt (P42574) Pfam (PF00656) In PDB	Homo sapiens (Human)	CASP-3,Apopain,Cysteine protease CPP32,CPP-32,Protein Yama,SREBP cleavage activity 1,SCA-1
3	E, F	ketomethylene inhibitor	polymer	5	560.6	2		synthetic construct
4		water	water		18.0	355	Chemie (HOH)

Sequence modifications

C, D: 176 - 277 (UniProt: P42574)

PDB	External Database	Details
Leu 278	-	expression tag
Glu 279	-	expression tag
His 280	-	expression tag
His 281	-	expression tag
His 282	-	expression tag
His 283	-	expression tag
His 284	-	expression tag
His 285	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	66603.3
All*	Total formula weight	66603.3

*Water molecules are not included.