6X37

Crystal structure of PT3245 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	Endothelial PAS domain-containing protein 1	polymer	115	13295.0	1	UniProt (Q99814) Pfam (PF14598) In PDB	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	Aryl hydrocarbon receptor nuclear translocator	polymer	118	13898.8	1	UniProt (P27540) Pfam (PF14598) In PDB	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	A	3-fluoro-5-{[(7R)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile	non-polymer		338.3	1	Chemie (ULS)
4		water	water		18.0	25	Chemie (HOH)

Sequence modifications

A: 239 - 348 (UniProt: Q99814)

PDB	External Database	Details
Gly -2	-	expression tag
Glu -1	-	expression tag
Phe 0	-	expression tag
Lys 1	-	expression tag
Gly 2	-	expression tag
Glu 247	Arg 247	engineered mutation

B: 356 - 467 (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	27193.8
Non-Polymers*	Number of molecules	1
	Total formula weight	338.3
All*	Total formula weight	27532.1

*Water molecules are not included.