4XT2

Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a tetrazole-containing antagonist

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, D)	Aryl hydrocarbon receptor nuclear translocator	polymer	121	14243.1	2	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
2	C, D (A, C)	Endothelial PAS domain-containing protein 1	polymer	117	13538.3	2	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
3	E, F (A, C)	(5S,7R)-5,7-bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine	non-polymer		435.1	2	Chemie (43L)
4	G, H, I, J (B, D, A, C)	water	water		18.0	310	Chemie (HOH)

Sequence modifications

B, D: 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 348	engineered mutation

A, C: 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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	55562.8
Non-Polymers*	Number of molecules	2
	Total formula weight	870.2
All*	Total formula weight	56433.0

*Water molecules are not included.