9YHC

Crystal structure of Chikungunya virus nsP3 macrodomain D31H mutant (P31 crystal form)

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)	Non-structural protein 3	polymer	168	18658.2	4	UniProt (Q8JUX6) Pfam (PF01661)	Chikungunya virus	nsP3
2	E, L, Q, V, W (A, B, C, D)	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
3	F, M, R, X (A, B, C, D)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
4	G, H, I, J, K... (A, B, C, D)	CHLORIDE ION	non-polymer		35.5	13	Chemie (CL)
5	AA, BA, CA, DA (A, B, C, D)	water	water		18.0	633	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 160 (UniProt: Q8JUX6)

PDB	External Database	Details
Met -7	-	initiating methionine
Lys -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
His 31	Asp 1364	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	74632.7
Non-Polymers*	Number of molecules	22
	Total formula weight	931.5
All*	Total formula weight	75564.3

*Water molecules are not included.