8D8I: Reverb alpha

Crystal structure of Reverb alpha in complex with synthetic agonist. Determined by X-ray diffraction at 2.5 Å resolution. Released 14 Dec 2022.

Method: X-ray diffraction
Resolution: 2.5 Å
Organism: Homo sapiens
Chains: 2
Atoms: 1,810
Mol. weight: 29.09 kDa
Ligands: QFX
Released: 14 Dec 2022

Explore 8D8I in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8D8I contains 11 α-helices and 5 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: 10 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	285-299	15
α-helix	432-455	24
α-helix	465-484	20
α-helix	485-487	3
β-strand	488-489	2	1
β-strand	494-496	3	1
β-strand	502-504	3	1
α-helix	507-510	4
α-helix	515-528	14
α-helix	534-546	13
α-helix	556-577	22
α-helix	584-589	6
α-helix	591-602	12
β-strand	606-610	5	2

Chain B: 1 helix, 1 β-strand

Element	Residues	Length	Sheet
β-strand	2046-2050	5	2
α-helix	2051-2062	12

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Nuclear receptor subfamily 1 group D member 1	A	protein	237	Homo sapiens	P20393 (AlphaFold model)
Nuclear receptor corepressor 1	B	protein	20	Homo sapiens	O75376 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>8D8I_1 Nuclear receptor subfamily 1 group D member 1 (chains A)
GSHMPEPTVEDVISQVARAHREIFTYAHDKLGSSPGNFNANHASGSPHGRSGRTVQEIWE
DFSMSFTPAVREVVEFAKHIPGFRDLSQHDQVTLLKAGTFEVLMVRFASLFNVKDQTVMF
LSRTTYSLQELGAMGMGDLLSAMFDFSEKLNSLALTEEELGLFTAVVLVSADRSGMENSA
SVEQLQETLLRALRALVLKNRPLETSRFTKLLLKLPDLRTLNNMHSEKLLSFRVDAQ

Sequence of entity 2 (B), FASTA

>8D8I_2 Nuclear receptor corepressor 1 (chains B)
THRLITLADHIAQIITQDFA

Ligands and cofactors

ID	Name	Formula	Copies
QFX	(4S)-6-[([1,1'-biphenyl]-2-yl)oxy]-3-chloro[1,2,4]triazolo[4,3-b]pyridazine	C17 H11 Cl N4 O	1

Primary citation

Structural basis of synthetic agonist activation of the nuclear receptor REV-ERB. Murray, M.H., Valfort, A.C., Koelblen, T. et al. Nat Commun (2022) 13:7131-7131. DOI 10.1038/s41467-022-34892-4 · PubMed

Other PDB entries of the same protein (UniProt P20393 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1A6Y 2.3 Å, Reverba orphan nuclear receptor/dna complex
1GA5 2.4 Å, Crystal structure of the orphan nuclear receptor rev-erb(alpha) DNA-binding domain bound…
3N00 2.6 Å, Crystal Structure of a deletion mutant of human Reverba ligand binding domain bound with…
1HLZ 2.8 Å, Crystal structure of the orphan nuclear receptor rev-erb(alpha) DNA-binding domain bound…

Browse structure collections

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