4XT2: Aryl hydrocarbon receptor nuclear translocator

Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a tetrazole-containing antagonist. Determined by X-ray diffraction at 1.7 Å resolution. Released 9 Dec 2015.

Method: X-ray diffraction
Resolution: 1.7 Å
Organism: Homo sapiens
Chains: 4
Atoms: 4,125
Mol. weight: 56.43 kDa
Ligands: 43L
Released: 9 Dec 2015

Explore 4XT2 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4XT2 contains 25 α-helices and 38 β-strands across 4 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 6 helices, 11 β-strands

Element	Residues	Length	Sheet
α-helix	239-242	4
β-strand	243-248	6	5
β-strand	253	1	6
β-strand	254-257	4	5
α-helix	260-264	5
α-helix	269-272	4
β-strand	273	1	5
β-strand	276	1	6
α-helix	277-279	3
β-strand	281	1	5
α-helix	286-299	14
β-strand	301-303	3	5
β-strand	307-310	4	5
α-helix	311	1
β-strand	316-327	12	5
β-strand	334-343	10	5
β-strand	348	1	5

Chain B: 7 helices, 8 β-strands

Element	Residues	Length	Sheet
α-helix	359-361	3
β-strand	362-367	6	1
β-strand	372	1	2
β-strand	373-376	4	1
α-helix	380-384	5
α-helix	388-391	4
β-strand	395	1	2
α-helix	396-399	4
β-strand	400	1	1
α-helix	402-404	3
α-helix	405-417	13
β-strand	423-430	8	1
β-strand	436-446	11	1
α-helix	453-455	3
β-strand	456-463	8	1

Chain C: 6 helices, 11 β-strands

Element	Residues	Length	Sheet
α-helix	239-242	4
β-strand	243-248	6	7
β-strand	253	1	8
β-strand	254-257	4	7
α-helix	260-265	6
α-helix	269-271	3
β-strand	273	1	7
β-strand	276	1	8
α-helix	277-279	3
β-strand	281	1	7
α-helix	283-285	3
α-helix	286-299	14
β-strand	301-303	3	7
β-strand	307-310	4	7
β-strand	316-327	12	7
β-strand	334-343	10	7
β-strand	348	1	7

Chain D: 6 helices, 8 β-strands

Element	Residues	Length	Sheet
β-strand	362-367	6	3
β-strand	372	1	4
β-strand	373-376	4	3
α-helix	380-384	5
α-helix	388-391	4
β-strand	395	1	4
α-helix	396-399	4
β-strand	400	1	3
α-helix	402-404	3
α-helix	405-417	13
β-strand	423-430	8	3
β-strand	436-446	11	3
α-helix	453-455	3
β-strand	456-463	8	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Aryl hydrocarbon receptor nuclear translocator	B, D	protein	121	Homo sapiens	P27540 (AlphaFold model)
Endothelial PAS domain-containing protein 1	A, C	protein	117	Homo sapiens	Q99814 (AlphaFold model)

Sequence of entity 1 (B, D), FASTA

>4XT2_1 Aryl hydrocarbon receptor nuclear translocator (chains B, D)
GEFKGLNVCQPTRFISRHNIEGIFTFVDHRCVATVGYQPQELLGKNIVEFCHPEDQQLLR
DSFQQVVKLKGQVLSVMFRFRSKNQEWLWMRTSSFTFQNPYSDEIEYIICTNTNVKNSSQ
E

Sequence of entity 2 (A, C), FASTA

>4XT2_2 Endothelial PAS domain-containing protein 1 (chains A, C)
GEFKGLDSKTFLSEHSMDMKFTYCDDRITELIGYHPEELLGRSAYEFYHALDSENMTKSH
QNLCTKGQVVSGQYRMLAKHGGYVWLETQGTVIYNPRNLQPQCIMCVNYVLSEIEKN

Ligands and cofactors

ID	Name	Formula	Copies
43L	(5S,7R)-5,7-bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine	C16 H13 Br2 N5	2

Primary citation

Isoform-Selective and Stereoselective Inhibition of Hypoxia Inducible Factor-2. Scheuermann, T.H., Stroud, D., Sleet, C.E. et al. J Med Chem (2015) 58:5930-5941. DOI 10.1021/acs.jmedchem.5b00529 · PubMed

Other PDB entries of the same protein (UniProt P27540 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3F1P 1.17 Å, Crystal structure of a high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS…
3F1N 1.48 Å, Crystal structure of a high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS…
2B02 1.5 Å, Crystal Structure of ARNT PAS-B Domain
3H82 1.5 Å, Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS…
4GHI 1.5 Å, Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS…
6D0C 1.5 Å, Crystal structure of HIF2a-B*:ARNT-B* complex
4H6J 1.52 Å, Identification of Cys 255 in HIF-1 as a novel site for development of covalent…
6X21 1.54 Å, Crystal structure of PT1673 bound to HIF2a-B*:ARNT-B* complex
9I64 1.56 Å, Crystal structure of Casdatifan bound to HIF2a-B*:ARNT-B* complex
3F1O 1.6 Å, Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS…
4EQ1 1.6 Å, Crystal Structure of the ARNT PAS-B homodimer
6CZW 1.6 Å, Crystal structure of PT1940 bound to HIF2a-B*:ARNT-B* complex

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