7AOS: Retinoic acid receptor RXR-alpha

crystal structure of the RARalpha/RXRalpha ligand binding domain heterodimer in complex with a fragment of SRC1 coactivator. Determined by X-ray diffraction at 2.55 Å resolution. Released 4 Aug 2021.

Method: X-ray diffraction
Resolution: 2.55 Å
Organisms: Mus musculus, Homo sapiens
Chains: 4
Atoms: 3,795
Mol. weight: 63.57 kDa
Ligands: LG2, EQN
Released: 4 Aug 2021

Explore 7AOS in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7AOS contains 30 α-helices and 7 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: 14 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	226-229	4
α-helix	232-240	9
α-helix	264-285	22
α-helix	294-314	21
α-helix	315-317	3
β-strand	323-325	3	1
β-strand	331-333	3	1
α-helix	334-338	5
α-helix	343-349	7
α-helix	350-354	5
α-helix	355-360	6
α-helix	364-375	12
α-helix	386-407	22
α-helix	414-419	6
α-helix	422-437	16
α-helix	449-453	5

Chain B: 14 helices, 5 β-strands

Element	Residues	Length	Sheet
α-helix	182-198	17
α-helix	202-204	3
β-strand	208	1	2
α-helix	222-245	24
α-helix	249-251	3
α-helix	254-275	22
β-strand	277-278	2	3
β-strand	283-285	3	3
β-strand	290	1	2
β-strand	291-293	3	3
α-helix	294-297	4
α-helix	298-302	5
α-helix	303-305	3
α-helix	306-315	10
α-helix	317-319	3
α-helix	323-334	12
α-helix	345-366	22
α-helix	373-398	26
α-helix	408-413	6

Chain C: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	688-695	8

Chain D: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	690-693	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Retinoic acid receptor RXR-alpha	A	protein	238	Mus musculus	P28700 (AlphaFold model)
Retinoic acid receptor alpha	B	protein	266	Homo sapiens	P10276 (AlphaFold model)
Nuclear receptor coactivator 1	C, D	protein	27	Homo sapiens	Q15788 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>7AOS_1 Retinoic acid receptor RXR-alpha (chains A)
SANEDMPVEKILEAELAVEPKTETYVEANMGLNPSSPNDPVTNICQAADKQLFTLVEWAK
RIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGA
IFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYC
KHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQAT

Sequence of entity 2 (B), FASTA

>7AOS_2 Retinoic acid receptor alpha (chains B)
MGSSHHHHHHSSGLVPRGSHESYTLTPEVGELIEKVRKAHQETFPALCQLGKYTTNNSSE
QRVSLDIDLWDKFSELSTKCIIKTVEFAKQLPGFTTLTIADQITLLKAACLDILILRICT
RYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFANQLLPLEMDDAETGLLSAICLI
CGDRQDLEQPDRVDMLQEPLLEALKVYVRKRRPSRPHMFPKMLMKITDLRSISAKGAERV
ITLKMEIPGSMPPLIQEMLENSEGLD

Sequence of entity 3 (C, D), FASTA

>7AOS_3 Nuclear receptor coactivator 1 (chains C, D)
RHKILHRLLQEGSPSDITTLSVEPDKK

Ligands and cofactors

ID	Name	Formula	Copies
LG2	6-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]pyrid…	C24 H29 N O2	1
EQN	4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzo…	C22 H25 N O3	1

Water and common crystallization additives (GOL) are not listed.

Primary citation

Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR). Senicourt, L., le Maire, A., Allemand, F. et al. J Mol Biol (2021) 433:166899-166899. DOI 10.1016/j.jmb.2021.166899 · PubMed

Other PDB entries of the same protein (UniProt P28700 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7PDQ 1.58 Å, Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with…
1DKF 2.5 Å, Crystal structure of a heterodimeric complex of rar and rxr ligand-binding domains
8J54 2.72 Å, Crystal structure of RXR/DR2 complex
3A9E 2.75 Å, Crystal structure of a mixed agonist-bound RAR-alpha and antagonist-bound RXR-alpha…
7QAA 2.76 Å, Crystal structure of RARalpha/RXRalpha ligand binding domain heterodimer in complex with…
1XDK 2.9 Å, Crystal Structure of the RARbeta/RXRalpha Ligand Binding Domain Heterodimer in Complex…
7PDT 3.3 Å, Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with…

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