5CGJ

Crystal structure of murine Keap1 in complex with RA839, a non-covalent small-molecule binder to Keap1 and selective activator of Nrf2 signalling.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Kelch-like ECH-associated protein 1	polymer	336	37028.4	1	UniProt (Q9Z2X8) Pfam (PF01344) In PDB	Mus musculus (Mouse)	Cytosolic inhibitor of Nrf2,INrf2
2	A	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
3	A	(3S)-1-(4-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}naphthalen-1-yl)pyrrolidine-3-carboxylic acid	non-polymer		452.6	1	Chemie (51M)
4		water	water		18.0	12	Chemie (HOH)

Sequence modifications

A: 309 - 624 (UniProt: Q9Z2X8)

PDB	External Database	Details
Met 289	-	initiating methionine
Gly 290	-	expression tag
His 291	-	expression tag
His 292	-	expression tag
His 293	-	expression tag
His 294	-	expression tag
His 295	-	expression tag
His 296	-	expression tag
His 297	-	expression tag
His 298	-	expression tag
Gly 299	-	expression tag
Gly 300	-	expression tag
Gly 301	-	expression tag
Glu 302	-	expression tag
Asn 303	-	expression tag
Leu 304	-	expression tag
Tyr 305	-	expression tag
Phe 306	-	expression tag
Gln 307	-	expression tag
Gly 308	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37028.4
Non-Polymers*	Number of molecules	5
	Total formula weight	836.8
All*	Total formula weight	37865.2

*Water molecules are not included.