6W8K

Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Nonstructural polyprotein	polymer	168	18518.9	4	UniProt (A0A4D6GPC4) Pfam (PF01661) UniProt (by SIFTS) (Q8JUX6)	Chikungunya virus (CHIKV)
2	E, F, G, H (A, B, C, D)	5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid	non-polymer		168.2	4	Chemie (TJ4)
3	I, J, K, L (A, B, C, D)	water	water		18.0	110	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 160 (UniProt: A0A4D6GPC4)

PDB	External Database	Details
Gly -7	-	expression tag
Ser -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	4
	Total formula weight	74075.5
Non-Polymers*	Number of molecules	4
	Total formula weight	672.6
All*	Total formula weight	74748.1

*Water molecules are not included.