8R1Q

SARS-CoV-2 Mpro (Omicron, P132H+T169S) in complex with alpha-ketoamide 13b-K

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, A)	3C-like proteinase nsp5	polymer	306	33852.6	2	UniProt (P0DTC1) Pfam (PF05409)	Severe acute respiratory syndrome coronavirus 2	3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase
2	C, D (B, A)	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate	non-polymer		595.7	2	Chemie (O6K)
3	E, F (B, A)	water	water		18.0	475	Chemie (HOH)

Sequence modifications

B, A: 1 - 306 (UniProt: P0DTC1)

PDB	External Database	Details
His 132	Pro 3395	variant
Ser 169	Thr 3432	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67705.1
Non-Polymers*	Number of molecules	2
	Total formula weight	1191.4
All*	Total formula weight	68896.5

*Water molecules are not included.