9DH3

Cryo-EM structure of NLRP3 complex with Compound C

This is a non-PDB format compatible entry.

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)	Maltose/maltodextrin-binding periplasmic protein,NACHT, LRR and PYD domains-containing protein 3 chimera	polymer	1267	142837.8	4	UniProt (P0AEX9) UniProt (Q96P20) Pfam (PF01547) Pfam (PF14484) Pfam (PF05729) Pfam (PF17779) Pfam (PF17776) Pfam (PF13516)	Homo sapiens (human)	MMBP,Maltodextrin-binding protein,Maltose-binding protein,MBP,Angiotensin/vasopressin receptor AII/AVP-like,Caterpiller protein 1.1,CLR1.1,Cold-induced autoinflammatory syndrome 1 protein,Cryopyrin,PYRIN-containing APAF1-like protein 1
2	E, H, K, N (A, B, C, D)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	4	Chemie (ADP)
3	F, I, L, O (A, B, C, D)	2-[(4S)-5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N-(pyrimidin-4-yl)acetamide	non-polymer		354.4	4	Chemie (A1A4L) PubChem (177382085)
4	G, J, M, P (A, B, C, D)	3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE	non-polymer		614.9	4	Chemie (CPS) PubChem (457060) PubChem (3659871) PubChem (9895216) PubChem (10371606) PubChem (16396400) PubChem (18397788) PubChem (177530666) PubChem (24883538) PubChem (44120060) PubChem (44450441) PubChem (53229977) PubChem (50987450) PubChem (51028881) PubChem (51028882) PubChem (107670) PubChem (71774074) PubChem (90488808) PubChem (91746229) PubChem (91809267) PubChem (53393728) PubChem (58528211) PubChem (102565428) PubChem (122361936) PubChem (122362044) PubChem (131632459) PubChem (133645855) PubChem (137704711) PubChem (146159681)

Sequence modifications

A, B, C, D: -230 - 135 (UniProt: P0AEX9)

PDB	External Database	Details
Val 81	Ala 338	conflict

A, B, C, D: 136 - 1036 (UniProt: Q96P20)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	571351.1
Non-Polymers*	Number of molecules	12
	Total formula weight	5585.9
All*	Total formula weight	576936.9

*Water molecules are not included.