9YHJ

Crystal structure of Chikungunya virus nsP3 macrodomain N24A D31H double mutant (P31 crystal form) in complex with ADP-ribose

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	18615.2	4	UniProt (Q8JUX6) Pfam (PF01661)	Chikungunya virus	nsP3
2	E, F, G, H (A, B, C, D)	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	non-polymer		559.3	4	Chemie (AR6)
3	I, J, K, L (A, B, C, D)	water	water		18.0	221	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
Ala 24	Asn 1357	engineered mutation
His 31	Asp 1364	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	74460.6
Non-Polymers*	Number of molecules	4
	Total formula weight	2237.3
All*	Total formula weight	76697.9

*Water molecules are not included.