9YHL

Crystal structure of Chikungunya virus nsP3 macrodomain N24A D31N 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	18591.1	4	UniProt (Q8JUX6) Pfam (PF01661)	Chikungunya virus	nsP3
2	E, G, I, K (A, B, C, D)	ADENOSINE-5-DIPHOSPHORIBOSE	non-polymer		559.3	4	Chemie (APR)
3	F, H, J (A, B, C)	[(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	3	Chemie (AR6) PubChem (192) PubChem (25113622) PubChem (25113623) PubChem (445794) PubChem (44415180) PubChem (447048) PubChem (44144391) PubChem (51051599) PubChem (33576) PubChem (89379870) PubChem (91746164) PubChem (447165) PubChem (448826) PubChem (10437766) PubChem (9548001) PubChem (9547960) PubChem (122606931) PubChem (122609061) PubChem (140853820) PubChem (146879505) PubChem (162774256) PubChem (162782217) PubChem (174159053) PubChem (163972867) PubChem (173750345) PubChem (173750346) PubChem (175675949)
4	L, M, N, O (A, B, C, D)	water	water		18.0	660	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
Asn 31	Asp 1364	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	74364.5
Non-Polymers*	Number of molecules	7
	Total formula weight	3915.2
All*	Total formula weight	78279.7

*Water molecules are not included.