6BI8

X-ray structure of MERS coronavirus papain-like protease in complex with human ISG15

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	ORF1a	polymer	259	28883.5	2	UniProt (K4LC41) Pfam (PF08715) UniProt (by SIFTS) (K0BWD0) In PDB	Human betacoronavirus 2c EMC/2012
2	C, D	Ubiquitin-like protein ISG15	polymer	156	17090.6	2	UniProt (P05161) Pfam (PF00240) In PDB	Homo sapiens (Human)	Interferon-induced 15 kDa protein,Interferon-induced 17 kDa protein,IP17,Ubiquitin cross-reactive protein,hUCRP
3	A, B, C	TRIETHYLENE GLYCOL	non-polymer		150.2	4	Chemie (PGE)
4	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
5	A, B	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
6	A, B	prop-2-en-1-amine	non-polymer		57.1	2	Chemie (AYE)
7	B	CITRIC ACID	non-polymer		192.1	1	Chemie (CIT)
8	B	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
9		water	water		18.0	394	Chemie (HOH)

Sequence modifications

A, B: 1544 - 1801 (UniProt: K4LC41)

PDB	External Database	Details
Asn 1543	-	expression tag

C, D: 1 - 156 (UniProt: P05161)

PDB	External Database	Details
Ser 78	Cys 78	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	91948.3
Non-Polymers*	Number of molecules	16
	Total formula weight	1622.4
All*	Total formula weight	93570.7

*Water molecules are not included.