8CYO

Nurr1 Covalently Bound to a Synthetic Ligand, 10.25, via a Disulfide Bond

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 2	polymer	249	28262.5	2	UniProt (P43354) Pfam (PF00104) In PDB	Homo sapiens (human)	Immediate-early response protein NOT,Orphan nuclear receptor NURR1,Transcriptionally-inducible nuclear receptor
2	B, A	CHLORIDE ION	non-polymer		35.5	7	Chemie (CL)
3	A	2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide	non-polymer		280.2	1	Chemie (OBJ)
4		water	water		18.0	58	Chemie (HOH)

Sequence modifications

B, A: 363 - 598 (UniProt: P43354)

PDB	External Database	Details
Met 350	-	initiating methionine
Lys 351	-	expression tag
Lys 352	-	expression tag
Gly 353	-	expression tag
His 354	-	expression tag
His 355	-	expression tag
His 356	-	expression tag
His 357	-	expression tag
His 358	-	expression tag
His 359	-	expression tag
Gly 360	-	expression tag
Ala 361	-	expression tag
Ile 362	-	expression tag
Thr 534	Cys 534	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	56525.1
Non-Polymers*	Number of molecules	8
	Total formula weight	528.3
All*	Total formula weight	57053.4

*Water molecules are not included.