6QME

Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction

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	321	35251.4	1	UniProt (Q9Z2X8) Pfam (PF01344) In PDB	Mus musculus (House mouse)	Cytosolic inhibitor of Nrf2,INrf2
2	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
3	A	(3~{S})-3-(4-chloranyl-3-methyl-phenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid	non-polymer		329.8	1	Chemie (J6Q)
4		water	water		18.0	254	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	425.8
All*	Total formula weight	35677.2

*Water molecules are not included.