4IFP

X-ray Crystal Structure of Human NLRP1 CARD Domain

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 (A, B, C)	Maltose-binding periplasmic protein,NACHT, LRR and PYD domains-containing protein 1	polymer	466	51696.6	3	UniProt (P0AEX9) UniProt (Q9C000) Pfam (PF01547) Pfam (PF00619)	Escherichia coli	MBP,MMBP,Maltodextrin-binding protein,Caspase recruitment domain-containing protein 7,Death effector filament-forming ced-4-like apoptosis protein,Nucleotide-binding domain and caspase recruitment domain
2	D, E, F (D, E, F)	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		342.3	3	In PDB BIRD (PRD_900001) GlyTouCan (G07411ON)		alpha-maltose
3	G, H, I (A, B, C)	MALONATE ION	non-polymer		102.0	3	Chemie (MLI)
4	J, K, L (A, B, C)	water	water		18.0	1538	Chemie (HOH)

Sequence modifications

A, B, C: 2 - 367 (UniProt: P0AEX9)

PDB	External Database	Details
Met 1	-	initiating methionine
Ala 83	Asp 108	conflict
Ala 84	Lys 109	conflict
Ala 173	Glu 198	conflict
Ala 174	Asn 199	conflict
Ala 240	Lys 265	conflict
Ala 360	Glu 385	conflict
Ala 363	Lys 388	conflict
Ala 364	Asp 389	conflict
Asn 368	-	linker
Ala 369	-	linker
Val 370	-	linker
Asp 371	-	linker

A, B, C: 372 - 455 (UniProt: Q9C000)

PDB	External Database	Details
Ala 456	-	expression tag
Ala 457	-	expression tag
Ala 458	-	expression tag
Leu 459	-	expression tag
Glu 460	-	expression tag
His 461	-	expression tag
His 462	-	expression tag
His 463	-	expression tag
His 464	-	expression tag
His 465	-	expression tag
His 466	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	155089.7
Branched	Number of molecules	3
	Total formula weight	1026.9
Non-Polymers*	Number of molecules	3
	Total formula weight	306.1
All*	Total formula weight	156422.7

*Water molecules are not included.