7A77: Retinoic acid receptor RXR-alpha

Crystal structure of RXR alpha LBD in complexes with palmitic acid and GRIP-1 peptide. Determined by X-ray diffraction at 1.5 Å resolution. Released 21 Oct 2020.

Method: X-ray diffraction
Resolution: 1.5 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,195
Mol. weight: 29.36 kDa
Ligands: PLM
Released: 21 Oct 2020

Explore 7A77 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7A77 contains 16 α-helices and 3 β-strands across 2 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: 15 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	226-229	4
α-helix	232-242	11
β-strand	250-251	2	1
α-helix	264-284	21
α-helix	289-291	3
α-helix	294-316	23
α-helix	317-319	3
β-strand	323-325	3	1
β-strand	330-333	4	1
α-helix	334-339	6
α-helix	343-348	6
α-helix	349-354	6
α-helix	355-360	6
α-helix	364-375	12
α-helix	386-407	22
α-helix	414-419	6
α-helix	422-442	21
α-helix	449-454	6

Chain B: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	473-480	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Retinoic acid receptor RXR-alpha	A	protein	242	Homo sapiens	P19793 (AlphaFold model)
Nuclear receptor coactivator 2	B	protein	14	Homo sapiens	Q15596 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>7A77_1 Retinoic acid receptor RXR-alpha (chains A)
SMTSSANEDMPVERILEAELAVEPKTETYVEANMGLNPSSPNDPVTNICQAADKQLFTLV
EWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSA
GVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASL
EAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQ
MT

Sequence of entity 2 (B), FASTA

>7A77_2 Nuclear receptor coactivator 2 (chains B)
KHKILHRLLQDSSY

Ligands and cofactors

ID	Name	Formula	Copies
PLM	Palmitic acid	C16 H32 O2	1

Water and common crystallization additives (CL, EDO) are not listed.

Primary citation

Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms. Chaikuad, A., Pollinger, J., Ruhl, M. et al. Int J Mol Sci (2020) 21. DOI 10.3390/ijms21228457 · PubMed

Other PDB entries of the same protein (UniProt P19793 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9QX6 1.46 Å, Crystal structure of RXR alpha LBD bound to a synthetic agonist FN537 and a coactivator…
6LB4 1.5 Å, Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator
6FBQ 1.6 Å, Crystal Structure of the Human Retinoid X Receptor DNA-Binding Domain Bound to the Human…
9RMR 1.65 Å, Crystal structure of RXR alpha LBD bound to a synthetic agonist FN558 and a coactivator…
1DSZ 1.7 Å, Structure of the rxr/rar DNA-binding domain heterodimer in complex with the retinoic…
5MKU 1.78 Å, Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol…
2P1T 1.8 Å, Crystal structure of the ligand binding domain of the retinoid X receptor alpha in…
4ZSH 1.8 Å, RXR LBD in complex with 9-cis-13,14-dihydroretinoic acid
6L6K 1.8 Å, Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1
7UW2 1.88 Å, Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with…
6STI 1.89 Å, Crystal structure of RXRalpha LBD in complex with LG 100754 and a coactivator peptide
1MV9 1.9 Å, Crystal Structure of the human RXR alpha ligand binding domain bound to the eicosanoid…

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