8E1A

Structure-based study to overcome cross-reactivity of novel androgen receptor inhibitors

Replaces:  4U4K

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Androgen receptor	polymer	277	32141.5	1	UniProt (P10275) Pfam (PF00104)	Homo sapiens (human)	Dihydrotestosterone receptor,Nuclear receptor subfamily 3 group C member 4
2	B (A)	4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine	non-polymer		294.3	1	Chemie (3E0)
3	C, D, E, F (A)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
4	G (A)	water	water		18.0	257	Chemie (HOH)

Sequence modifications

A: 664 - 919 (UniProt: P10275)

PDB	External Database	Details
Met 643	-	expression tag
Gly 644	-	expression tag
Ser 645	-	expression tag
Ser 646	-	expression tag
His 647	-	expression tag
His 648	-	expression tag
His 649	-	expression tag
His 650	-	expression tag
His 651	-	expression tag
His 652	-	expression tag
Ser 653	-	expression tag
Ser 654	-	expression tag
Gly 655	-	expression tag
Leu 656	-	expression tag
Val 657	-	expression tag
Pro 658	-	expression tag
Arg 659	-	expression tag
Gly 660	-	expression tag
Ser 661	-	expression tag
His 662	-	expression tag
Met 663	-	expression tag
Ala 877	Thr 878	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	32141.5
Non-Polymers*	Number of molecules	5
	Total formula weight	542.6
All*	Total formula weight	32684.1

*Water molecules are not included.