7P5N

Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Kelch-like ECH-associated protein 1	polymer	321	35251.4	1	UniProt (Q9Z2X8) Pfam (PF01344)	Mus musculus (Mouse)	Cytosolic inhibitor of Nrf2,INrf2
2	B (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
3	C (A)	1-[3-[(1~{R},3~{S})-3-[(2~{R})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid	non-polymer		463.6	1	Chemie (5RQ)
4	D (A)	water	water		18.0	282	Chemie (HOH)

Sequence modifications

A: 322 - 624 (UniProt: Q9Z2X8)

PDB	External Database	Details
Met 304	-	initiating methionine
Gly 305	-	expression tag
Ser 306	-	expression tag
Ser 307	-	expression tag
His 308	-	expression tag
His 309	-	expression tag
His 310	-	expression tag
His 311	-	expression tag
His 312	-	expression tag
His 313	-	expression tag
Ser 314	-	expression tag
Ser 315	-	expression tag
Gly 316	-	expression tag
Leu 317	-	expression tag
Val 318	-	expression tag
Pro 319	-	expression tag
Arg 320	-	expression tag
Gly 321	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	35251.4
Non-Polymers*	Number of molecules	2
	Total formula weight	499.1
All*	Total formula weight	35750.4

*Water molecules are not included.