4L7D

Structure of keap1 kelch domain with (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid

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	Kelch-like ECH-associated protein 1	polymer	300	33009.8	3	UniProt (Q14145) Pfam (PF01344) In PDB	Homo sapiens (human)	Cytosolic inhibitor of Nrf2, INrf2, Kelch-like protein 19
2	A, B, C	(1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid	non-polymer		446.5	3	Chemie (1VX)
3	A, B, C	ACETATE ION	non-polymer		59.0	10	Chemie (ACT)
4		water	water		18.0	270	Chemie (HOH)

Sequence modifications

A, B, C: 321 - 609 (UniProt: Q14145)

PDB	External Database	Details
Met 318	-	expression tag
Gly 319	-	expression tag
His 320	-	expression tag
Asp 354	Arg 354	engineered mutation
Leu 610	-	expression tag
Glu 611	-	expression tag
His 612	-	expression tag
His 613	-	expression tag
His 614	-	expression tag
His 615	-	expression tag
His 616	-	expression tag
His 617	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	99029.4
Non-Polymers*	Number of molecules	13
	Total formula weight	1930.1
All*	Total formula weight	100959.5

*Water molecules are not included.