4XHS

Crystal structure of human NLRP12 PYD domain and implication in homotypic interaction

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Maltose-binding periplasmic protein,NACHT, LRR and PYD domains-containing protein 12	polymer	480	52777.8	2	UniProt (P0AEY0) UniProt (P59046) Pfam (PF02758)	Escherichia coli O157:H7	MBP,MMBP,Maltodextrin-binding protein,Monarch-1,PYRIN-containing APAF1-like protein 7,Regulated by nitric oxide
2	C, D (C, D)	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		342.3	2	In PDB BIRD (PRD_900001) GlyTouCan (G07411ON)		alpha-maltose
3	E, F, I, J (A, B)	FORMIC ACID	non-polymer		46.0	4	Chemie (FMT)
4	G, H, K, L, M... (A, B)	SODIUM ION	non-polymer		23.0	7	Chemie (NA)
5	P, Q (A, B)	water	water		18.0	1081	Chemie (HOH)

Sequence modifications

A, B: 2 - 367 (UniProt: P0AEY0)

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
Ala 370	-	linker
Arg 371	-	linker
Ala 372	-	linker
Phe 373	-	linker
Ala 374	-	linker
Ala 375	-	linker
Ala 376	-	linker

A, B: 377 - 473 (UniProt: P59046)

PDB	External Database	Details
Glu 474	-	expression tag
His 475	-	expression tag
His 476	-	expression tag
His 477	-	expression tag
His 478	-	expression tag
His 479	-	expression tag
His 480	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	105555.6
Branched	Number of molecules	2
	Total formula weight	684.6
Non-Polymers*	Number of molecules	11
	Total formula weight	345.0
All*	Total formula weight	106585.2

*Water molecules are not included.