8J3T

Complex structure of human cytomegalovirus protease and a non-covalent small-molecule ligand

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)	Assemblin	polymer	263	29130.7	2	UniProt (A0A0G2TMR2) Pfam (PF00716) UniProt (by SIFTS) (P16753)	Human betaherpesvirus 5	Protease
2	C, D (A, B)	(4R)-1-[1-[(S)-[1-cyclopentyl-3-(2-methylphenyl)pyrazol-4-yl]-(4-methylphenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-3-methyl-2-oxidanylidene-N-(3-oxidanylidene-2-azabicyclo[2.2.2]octan-4-yl)imidazolidine-4-carboxamide	non-polymer		687.8	2	Chemie (T1F)
3	E (B)	water	water		18.0	1	Chemie (HOH)

Sequence modifications

A, B: 1 - 256 (UniProt: A0A0G2TMR2)

PDB	External Database	Details
Met -6	-	initiating methionine
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Gln 143	Ala 143	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	58261.4
Non-Polymers*	Number of molecules	2
	Total formula weight	1375.7
All*	Total formula weight	59637.0

*Water molecules are not included.