5ZQG

Complex structure of PEDV 3CLpro mutant (C144A) with NEMO-231 peptite substrate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Non-structural protein	polymer	308	33637.0	2	UniProt (R4JK63) Pfam (PF05409) In PDB	Porcine epidemic diarrhea virus	3CLpro
2	C	PEPTIDE LEU-ALA-GLN-LEU-GLN-VAL-ALA	polymer	11	1300.5	1		Sus scrofa
3		water	water		18.0	356	Chemie (HOH)

Sequence modifications

A, B: 1 - 299 (UniProt: R4JK63)

PDB	External Database	Details
Met 0	-	expression tag
Ala 144	Cys 3141	engineered mutation
Leu 300	-	expression tag
Glu 301	-	expression tag
His 302	-	expression tag
His 303	-	expression tag
His 304	-	expression tag
His 305	-	expression tag
His 306	-	expression tag
His 307	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	68574.6
All*	Total formula weight	68574.6

*Water molecules are not included.