9ZJ8

Crystal structure of MERS 3CL protease in complex with inhibitor AMJ-II-72

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	3C-like proteinase nsp5	polymer	313	34314.2	1	UniProt (K9N638)	Middle East respiratory syndrome-related coronavirus	3CL-PRO,3CLp,nsp5
2	B (A)	N~2~-({[(2S,4R)-2-[(4-fluorophenyl)methoxy]-3-(2-methylpropyl)-2-oxo-1,3,2lambda~5~-oxazaphospholidin-4-yl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	non-polymer		612.6	1	Chemie (A1C2N)
3	C (A)	water	water		18.0	48	Chemie (HOH)

Sequence modifications

A: 1 - 306 (UniProt: K9N638)

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	1
	Total formula weight	34314.2
Non-Polymers*	Number of molecules	1
	Total formula weight	612.6
All*	Total formula weight	34926.9

*Water molecules are not included.