4ZVR

Caspase-7 Variant 4 (V4) with reprogrammed substrate specificity due to Y230V/W232Y/S234V/Q276D substitutions bound to DEVD inhibitor.

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-7	polymer	198	22189.2	2	UniProt (P55210) Pfam (PF00656)	Homo sapiens (Human)	CASP-7,Apoptotic protease Mch-3,CMH-1,ICE-like apoptotic protease 3,ICE-LAP3
2	B, D (B, D)	Caspase-7	polymer	113	13135.7	2	UniProt (P55210) Pfam (PF00656)	Homo sapiens (Human)	CASP-7,Apoptotic protease Mch-3,CMH-1,ICE-like apoptotic protease 3,ICE-LAP3
3	E, F (E, F)	Peptide ACE-ASP-GLU-VAL-ASJ	polymer	5	488.5	2	BIRD (PRD_000422)	synthetic construct
4	G, H, I, J, K (A, B, C, D, F)	water	water		18.0	129	Chemie (HOH)

Sequence modifications

B, D: 199 - 303 (UniProt: P55210)

PDB	External Database	Details
Val 230	Tyr 230	engineered mutation
Tyr 232	Trp 232	engineered mutation
Val 234	Ser 234	engineered mutation
Asp 276	Gln 276	engineered mutation
Leu 304	-	expression tag
Glu 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	6
	Total formula weight	71626.8
All*	Total formula weight	71626.8

*Water molecules are not included.