Structure of PDB 8etr Chain A

Receptor sequence
>8etrA (length=471) Species: 9606 (Homo sapiens) [Search protein sequence]
KDYRKKYRKYVRSRFQCILNKRYTRLRLIKEHIKMELLFDPDEPVHTVVF
QGAAGIGKTILARKMMLDWASGTLYQDRFDYLFYIHCREVSLVTQRSLGD
LIMSCCPDPNPPIHKIVRKPSRILFLMDGFDELQGAFDEHIGPLCTDWQK
AERGDILLSSLIRKKLLPEASLLITTRPVALEKLQHLLDHPRHVEILGFS
EAKRKEYFFKYFSDEAQARAAFSLIQENEVLFTMCFIPLVCWIVCTGLKQ
QMESGKSLAQTSKTTTAVYVFFLSSLLCAHLWGLCSLAADGIWNQKILFE
ESDLRNHGLQKADVSAFLRMNLFQKEVKFYSFIHMTFQEFFAAMYYLLEE
SRDVTVLLENYGKFEKGYLIFVVRFLFGLVNQERSYLEKKLSCKISQQIR
LELLKWIEVKAKAKKLQIQPSQLELFYCLYEMQEEDFVQRAMDYFPKIEI
NLSTRMDHMVSSFCIENCHRV
3D structure
PDB8etr Overcoming Preclinical Safety Obstacles to Discover ( S )- N -((1,2,3,5,6,7-Hexahydro- s -indacen-4-yl)carbamoyl)-6-(methylamino)-6,7-dihydro-5 H -pyrazolo[5,1- b ][1,3]oxazine-3-sulfonamide (GDC-2394): A Potent and Selective NLRP3 Inhibitor.
ChainA
Resolution3.5 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 3.6.4.-
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 ADP A R167 Y168 T169 G229 G231 K232 T233 I234 Y381 P412 L413 W416 H522 R22 Y23 T24 G55 G57 K58 T59 I60 Y207 P238 L239 W242 H334
BS02 WTN A A227 A228 R351 I411 T439 R578 L628 E629 Y632 A53 A54 R177 I237 T265 R374 L423 E424 Y427
External links
PDB RCSB:8etr, PDBe:8etr, PDBj:8etr
PDBsum8etr
PubMed36279149
UniProtQ96P20|NLRP3_HUMAN NACHT, LRR and PYD domains-containing protein 3 (Gene Name=NLRP3)

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