4ZY3

Crystal Structure of Keap1 in Complex with a small chemical compound, K67

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	311	34270.1	2	UniProt (Q9Z2X8) Pfam (PF01344)	Mus musculus (Mouse)	Cytosolic inhibitor of Nrf2,INrf2
2	C, E (A, B)	FORMIC ACID	non-polymer		46.0	2	Chemie (FMT)
3	D, F (A, B)	N,N'-[2-(2-oxopropyl)naphthalene-1,4-diyl]bis(4-ethoxybenzenesulfonamide)	non-polymer		582.7	2	Chemie (K67)
4	G, H (A, B)	water	water		18.0	248	Chemie (HOH)

Sequence modifications

A, B: 321 - 609 (UniProt: Q9Z2X8)

PDB	External Database	Details
Met 299	-	initiating methionine
Gly 300	-	expression tag
His 301	-	expression tag
His 302	-	expression tag
His 303	-	expression tag
His 304	-	expression tag
His 305	-	expression tag
His 306	-	expression tag
Asp 307	-	expression tag
Tyr 308	-	expression tag
Asp 309	-	expression tag
Ile 310	-	expression tag
Pro 311	-	expression tag
Thr 312	-	expression tag
Thr 313	-	expression tag
Glu 314	-	expression tag
Asn 315	-	expression tag
Leu 316	-	expression tag
Tyr 317	-	expression tag
Phe 318	-	expression tag
Gln 319	-	expression tag
Gly 320	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	68540.2
Non-Polymers*	Number of molecules	4
	Total formula weight	1257.4
All*	Total formula weight	69797.6

*Water molecules are not included.