7T2U

SARS-CoV2 3C-Like protease complexed with Nemo peptide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, D, F (A, B, C, D)	3C-Like Protease	polymer	319	35564.4	4	UniProt (P0DTD1) Pfam (PF05409)	Severe acute respiratory syndrome coronavirus 2	3CL-PRO,3CLP,Main protease,Mpro
2	C, E (E, F)	NEMO peptide	polymer	10	1172.4	2	UniProt (Q9Y6K9)	Homo sapiens (human)	NF-kappa-B essential modulator,NEMO,FIP-3,IkB kinase-associated protein 1,IKKAP1,Inhibitor of nuclear factor kappa-B kinase subunit gamma,I-kappa-B kinase subunit gamma,IKK-gamma,IKKG,IkB kinase subunit gamma,NF-kappa-B essential modifier
3	G, H, I, J, K (A, B, E, C, D)	water	water		18.0	197	Chemie (HOH)

Sequence modifications

A, B, C, D: 0 - 306 (UniProt: P0DTD1)

PDB	External Database	Details
Met -12	-	initiating methionine
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
Glu -5	-	expression tag
Asn -4	-	expression tag
Leu -3	-	expression tag
Tyr -2	-	expression tag
Phe -1	-	expression tag
Ser 145	Cys 3408	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	144602.3
All*	Total formula weight	144602.3

*Water molecules are not included.