6D09

Crystal structure of PT2440 bound to HIF2a-B*:ARNT-B* complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Endothelial PAS domain-containing protein 1	polymer	117	13538.3	1	UniProt (Q99814) Pfam (PF14598)	Homo sapiens (Human)	EPAS-1,Basic-helix-loop-helix-PAS protein MOP2,Class E basic helix-loop-helix protein 73,bHLHe73,HIF-1-alpha-like factor,HLF,Hypoxia-inducible factor 2-alpha,HIF2-alpha,Member of PAS protein 2,PAS domain-containing protein 2
2	B (B)	Aryl hydrocarbon receptor nuclear translocator	polymer	121	14243.1	1	UniProt (P27540) Pfam (PF14598)	Homo sapiens (Human)	ARNT protein,Class E basic helix-loop-helix protein 2,bHLHe2,Dioxin receptor,nuclear translocator,Hypoxia-inducible factor 1-beta,HIF1-beta
3	C (A)	3-{[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile	non-polymer		405.3	1	Chemie (FOJ)
4	D, E (A, B)	water	water		18.0	21	Chemie (HOH)

Sequence modifications

A: 239 - 350 (UniProt: Q99814)

PDB	External Database	Details
Gly 234	-	expression tag
Glu 235	-	expression tag
Phe 236	-	expression tag
Lys 237	-	expression tag
Gly 238	-	expression tag
Glu 247	Arg 247	engineered mutation

B: 356 - 470 (UniProt: P27540)

PDB	External Database	Details
Gly 350	-	expression tag
Glu 351	-	expression tag
Phe 352	-	expression tag
Lys 353	-	expression tag
Gly 354	-	expression tag
Leu 355	-	expression tag
Arg 362	Glu 362	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	27781.4
Non-Polymers*	Number of molecules	1
	Total formula weight	405.3
All*	Total formula weight	28186.7

*Water molecules are not included.