4GS9

Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with an inactive benzoxadiazole antagonist

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, HIF-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, HIF-1-beta, HIF1-beta
3	C (A)	N-(3-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine	non-polymer		274.2	1	Chemie (0XB)
4	D (A)	3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL	non-polymer		370.4	1	Chemie (PE8)
5	E, F (A, B)	water	water		18.0	121	Chemie (HOH)

Sequence modifications

A: 239 - 350 (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 - 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	2
	Total formula weight	644.6
All*	Total formula weight	28426.0

*Water molecules are not included.