9C6X

Crystal Structure of a single chain trimer composed of HLA-B*39:01 Y84C variant, beta-2microglobulin, and NRVMLPKAA peptide from NLRP2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	NACHT, LRR and PYD domains-containing protein 2,Beta-2-microglobulin,MHC class I antigen	polymer	418	46766.5	1	UniProt (Q9NX02) UniProt (P61769) UniProt (R5AK10) Pfam (PF07654) Pfam (PF00129) In PDB	Homo sapiens (human)	Nucleotide-binding site protein 1,PYRIN domain and NACHT domain-containing protein 1,PYRIN-containing APAF1-like protein 2
2	A	1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE	non-polymer		162.2	1	Chemie (P4G)
3	A	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4		water	water		18.0	250	Chemie (HOH)

Sequence modifications

A: 323 - 331 (UniProt: Q9NX02)

PDB	External Database	Details
Gly 332	-	linker
Cys 333	-	linker
Gly 334	-	linker
Ala 335	-	linker
Ser 990	-	linker
Gly 991	-	linker
Gly 992	-	linker
Gly 993	-	linker
Gly 994	-	linker
Ser 995	-	linker
Gly 996	-	linker
Gly 997	-	linker
Gly 998	-	linker
Gly 999	-	linker
Ser 1000	-	linker
Met 1001	-	linker

A: 1002 - 1980 (UniProt: P61769)

PDB	External Database	Details
Gly 1981	-	linker
Gly 1982	-	linker
Gly 1983	-	linker
Gly 1984	-	linker
Ser 1985	-	linker
Gly 1986	-	linker
Gly 1987	-	linker
Gly 1988	-	linker
Gly 1989	-	linker
Ser 1990	-	linker
Gly 1991	-	linker
Gly 1992	-	linker
Gly 1993	-	linker
Gly 1994	-	linker
Ser 1995	-	linker
Gly 1996	-	linker
Gly 1997	-	linker
Gly 1998	-	linker
Gly 1999	-	linker
Ser 2000	-	linker

A: 2001 - 2274 (UniProt: R5AK10)

PDB	External Database	Details
Cys 2084	Tyr 108	variant

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	46766.5
Non-Polymers*	Number of molecules	2
	Total formula weight	224.3
All*	Total formula weight	46990.8

*Water molecules are not included.