9DU7

KEAP1 BTB domain in complex with the covalent activator VVD-065

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 (A, B)	Kelch-like ECH-associated protein 1	polymer	137	15293.7	2	UniProt (Q14145) Pfam (PF00651)	Homo sapiens (human)	Cytosolic inhibitor of Nrf2,INrf2,Kelch-like protein 19
2	C, D (A, B)	1-{(3S)-3-[3-(4-amino-1,3,5-triazin-2-yl)-5-chlorophenyl]morpholin-4-yl}propan-1-one	non-polymer		347.8	2	Chemie (A1BCT)
3	E, F (A, B)	water	water		18.0	116	Chemie (HOH)

Sequence modifications

A, B: 48 - 180 (UniProt: Q14145)

PDB	External Database	Details
Gly 44	-	expression tag
Ser 45	-	expression tag
His 46	-	expression tag
Met 47	-	expression tag
Ala 172	Ser 172	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	30587.3
Non-Polymers*	Number of molecules	2
	Total formula weight	695.6
All*	Total formula weight	31282.9

*Water molecules are not included.