3V3Q

Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Nuclear receptor subfamily 4 group A member 1	polymer	257	28745.3	2	UniProt (P22736) Pfam (PF00104) In PDB	Homo sapiens (human)	Early response protein NAK1, Nuclear hormone receptor NUR/77, Nur77, Orphan nuclear receptor HMR, Orphan nuclear receptor TR3, ST-59, Testicular receptor 3
2	A	ethyl (2,3,4-trimethoxy-6-octanoylphenyl)acetate	non-polymer		380.5	2	Chemie (TMY)
3	A, B	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
4	B	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
5		water	water		18.0	397	Chemie (HOH)

Sequence modifications

A, B: 20 - 267 (UniProt: P22736)

PDB	External Database	Details
Met 19	-	expression tag
Leu 268	-	expression tag
Glu 269	-	expression tag
His 270	-	expression tag
His 271	-	expression tag
His 272	-	expression tag
His 273	-	expression tag
His 274	-	expression tag
His 275	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	57490.6
Non-Polymers*	Number of molecules	7
	Total formula weight	1152.3
All*	Total formula weight	58642.9

*Water molecules are not included.