7VTC

Crystal structure of MERS main protease in complex with PF07321332

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	3C-like proteinase	polymer	322	35235.2	2	UniProt (T2B9A8) Pfam (PF05409) UniProt (by SIFTS) (K9N7C7)	Middle East respiratory syndrome-related coronavirus (MERS-CoV)
2	C (A)	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	non-polymer		501.5	1	Chemie (4WI)
3	D, E (A, B)	water	water		18.0	48	Chemie (HOH)

Sequence modifications

A, B: 3 - 301 (UniProt: T2B9A8)

PDB	External Database	Details
Ser 1	-	expression tag
Gly 2	-	expression tag
Ile 302	-	expression tag
Leu 303	-	expression tag
Gly 304	-	expression tag
Ser 305	-	expression tag
Thr 306	-	expression tag
Met 307	-	expression tag
Leu 308	-	expression tag
Glu 309	-	expression tag
Asp 310	-	expression tag
Glu 311	-	expression tag
Phe 312	-	expression tag
Thr 313	-	expression tag
Pro 314	-	expression tag
Glu 315	-	expression tag
Asp 316	-	expression tag
Val 317	-	expression tag
Asn 318	-	expression tag
Met 319	-	expression tag
Gln 320	-	expression tag
Ile 321	-	expression tag
Met 322	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	70470.5
Non-Polymers*	Number of molecules	1
	Total formula weight	501.5
All*	Total formula weight	70972.0

*Water molecules are not included.