4F49

2.25A resolution structure of Transmissible Gastroenteritis Virus Protease containing a covalently bound Dipeptidyl Inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	3C-like proteinase	polymer	310	34154.5	4	UniProt (P0C6V2) Pfam (PF05409) In PDB	Porcine transmissible gastroenteritis coronavirus (TGEV)	3CL-PRO, 3CLp, M-PRO, nsp5, p34
2	A, B, C, D	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	non-polymer		485.6	4	Chemie (K36)
3	D	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
4		water	water		18.0	297	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 303 (UniProt: P0C6V2)

PDB	External Database	Details
Met -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	136618.2
Non-Polymers*	Number of molecules	5
	Total formula weight	2136.4
All*	Total formula weight	138754.6

*Water molecules are not included.