3IXP

Crystal structure of the ecdysone receptor bound to BYI08346

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Gene regulation protein	polymer	263	29951.8	1	UniProt (Q7SIF6) Pfam (PF00104)	Heliothis virescens (Tobacco budworm moth)
2	B (D)	Ecdysone receptor	polymer	265	30206.6	1	UniProt (B9UCQ4) Pfam (PF00104)	Helicoverpa armigera (American bollworm corn ear worm scarce bordered straw tobacco budworm)
3	C (A)	L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE	non-polymer		709.9	1	Chemie (EPH)
4	D (D)	N-[2-(2-chlorophenyl)-4-methyl-5-(1-methylethyl)-1H-imidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide	non-polymer		425.9	1	Chemie (834)
5	E, F (A, D)	water	water		18.0	47	Chemie (HOH)

Sequence modifications

A: 205 - 466 (UniProt: Q7SIF6)

PDB	External Database	Details
Met 204	-	expression tag

D: 285 - 532 (UniProt: B9UCQ4)

PDB	External Database	Details
Gly 268	-	expression tag
Ser 269	-	expression tag
His 270	-	expression tag
Met 271	-	expression tag
Ala 272	-	expression tag
Ser 273	-	expression tag
Met 274	-	expression tag
Thr 275	-	expression tag
Gly 276	-	expression tag
Gly 277	-	expression tag
Gln 278	-	expression tag
Gln 279	-	expression tag
Met 280	-	expression tag
Gly 281	-	expression tag
Arg 282	-	expression tag
Asp 283	-	expression tag
Pro 284	-	expression tag
Tyr 303	Trp 303	engineered mutation
Ser 361	Ala 361	engineered mutation
Ser 456	Leu 456	engineered mutation
Ser 483	Cys 483	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	60158.4
Non-Polymers*	Number of molecules	2
	Total formula weight	1135.8
All*	Total formula weight	61294.2

*Water molecules are not included.