4REF

Crystal Structure of TR3 LBD_L449W in complex with Molecule 2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B, A	Nuclear receptor subfamily 4 group A member 1	polymer	256	28687.2	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	B, A	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
3	A	1-(3,4,5-trihydroxyphenyl)hexan-1-one	non-polymer		224.3	1	Chemie (3N0)
4		water	water		18.0	315	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Trp 118	Leu 449	engineered mutation
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	57374.3
Non-Polymers*	Number of molecules	5
	Total formula weight	592.6
All*	Total formula weight	57967.0

*Water molecules are not included.