3KJF

Caspase 3 Bound to a covalent inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Caspase-3	polymer	147	16639.9	1	UniProt (P42574) Pfam (PF00656)	Homo sapiens (human)	CASP-3, Apopain, Cysteine protease CPP32, CPP-32, Yama protein, SREBP cleavage activity 1, SCA-1, Caspase-3 subunit p17, Caspase-3 subunit p12
2	B (B)	Caspase-3	polymer	109	12863.6	1	UniProt (P42574) Pfam (PF00656)	Homo sapiens (human)	CASP-3, Apopain, Cysteine protease CPP32, CPP-32, Yama protein, SREBP cleavage activity 1, SCA-1, Caspase-3 subunit p17, Caspase-3 subunit p12
3	C (B)	(3S)-3-({[(5S,10aS)-2-{(2S)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1H-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid	non-polymer		597.6	1	Chemie (B92)
4	D, E (A, B)	water	water		18.0	152	Chemie (HOH)

Sequence modifications

B: 176 - 277 (UniProt: P42574)

PDB	External Database	Details
Asp 190	Glu 190	SEE REMARK 999
His 278	-	expression tag
His 279	-	expression tag
His 280	-	expression tag
His 281	-	expression tag
His 282	-	expression tag
His 283	-	expression tag
His 284	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	29503.5
Non-Polymers*	Number of molecules	1
	Total formula weight	597.6
All*	Total formula weight	30101.1

*Water molecules are not included.