5TBM

Crystal structure of PT2385 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	13279.0	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	117	13769.6	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-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile	non-polymer		383.3	1	Chemie (79A)
4		water	water		18.0	16	Chemie (HOH)

Sequence modifications

A: 237 - 348 (UniProt: Q99814)

PDB	External Database	Details
Gly 234	-	expression tag
Glu 235	-	expression tag
Phe 236	-	expression tag
Leu 237	Ile 237	conflict
Gly 238	Pro 238	conflict
Glu 247	Arg 247	engineered mutation

B: 354 - 467 (UniProt: P27540)

PDB	External Database	Details
Gly 351	-	expression tag
Glu 352	-	expression tag
Phe 353	-	expression tag
Leu 354	Met 340	conflict
Gly 355	Ser 341	conflict
Arg 362	Glu 348	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	27048.6
Non-Polymers*	Number of molecules	1
	Total formula weight	383.3
All*	Total formula weight	27431.9

*Water molecules are not included.