7TQ7

Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 13c

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Orf1a protein	polymer	313	34314.2	1	UniProt (A0A1L2E0X0) Pfam (PF05409) UniProt (by SIFTS) (K9N7C7) In PDB	Middle East respiratory syndrome-related coronavirus
2	A	N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide	non-polymer		409.5	1	Chemie (IRR)
3	A	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
4		water	water		18.0	205	Chemie (HOH)

Sequence modifications

A: 1 - 306 (UniProt: A0A1L2E0X0)

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	2
	Total formula weight	603.7
All*	Total formula weight	34918.0

*Water molecules are not included.