3S70

Crystal structure of active caspase-6 bound with Ac-VEID-CHO solved by As-SAD

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Caspase-6	polymer	278	32054.6	2	UniProt (P55212) Pfam (PF00656)	Homo sapiens (human)	CASP-6, Apoptotic protease Mch-2, Caspase-6 subunit p18, Caspase-6 subunit p11
2	B, D (B, D)	aldehyde inhibitor Ac-VEID-CHO	polymer	5	484.5	2	BIRD (PRD_000976)
3	E, F, G, H, K... (A, C)	CACODYLATE ION	non-polymer		137.0	8	Chemie (CAC)
4	I (A)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
5	J (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
6	O, P, Q, R (A, B, C, D)	water	water		18.0	667	Chemie (HOH)

Sequence modifications

A, C: 24 - 293 (UniProt: P55212)

PDB	External Database	Details
Leu 294	-	expression tag
Glu 295	-	expression tag
His 296	-	expression tag
His 297	-	expression tag
His 298	-	expression tag
His 299	-	expression tag
His 300	-	expression tag
His 301	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	65078.4
Non-Polymers*	Number of molecules	10
	Total formula weight	1179.3
All*	Total formula weight	66257.6

*Water molecules are not included.