3H7W

Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS017

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, Member of PAS protein 2, Basic-helix-loop-helix-PAS protein MOP2, Hypoxia-inducible factor 2 alpha, HIF-2 alpha, HIF2 alpha, HIF-1 alpha-like factor, HLF
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, HIF-1 beta
3	C (A)	2-nitro-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline	non-polymer		302.3	1	Chemie (018)
4	D, E (A, B)	water	water		18.0	182	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	302.3
All*	Total formula weight	28083.7

*Water molecules are not included.