7RKE: Estrogen receptor

Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-(((2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methyl)phenol and GRIP Peptide. Determined by X-ray diffraction at 1.55 Å resolution. Released 22 Jun 2022.

Method: X-ray diffraction
Resolution: 1.55 Å
Organism: Homo sapiens
Chains: 4
Atoms: 4,137
Mol. weight: 60.17 kDa
Ligands: 5VP
Released: 22 Jun 2022

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

Secondary structure: helices and β-sheets

7RKE contains 23 α-helices and 4 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: 10 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	312-321	10
α-helix	323-328	6
α-helix	339-361	23
α-helix	372-395	24
β-strand	401-405	5	1
β-strand	408-411	4	1
α-helix	412-414	3
α-helix	422-438	17
α-helix	442-455	14
α-helix	470-492	23
α-helix	497-530	34
α-helix	538-546	9

Chain B: 11 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	312-321	10
α-helix	323-329	7
α-helix	339-363	25
α-helix	372-395	24
β-strand	401-405	5	2
β-strand	408-411	4	2
α-helix	412-415	4
α-helix	421-438	18
α-helix	442-455	14
α-helix	474-492	19
α-helix	497-530	34
α-helix	535-537	3
α-helix	538-545	8

Chains C and D: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	689-693	5

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Estrogen receptor	A, B	protein	250	Homo sapiens	P03372 (AlphaFold model)
Nuclear receptor coactivator 2	C, D	protein	10	Homo sapiens	Q15596 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>7RKE_1 Estrogen receptor (chains A, B)
SLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRV
PGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEI
FDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITD
TLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLSDLLLEML
DAHRLHAPTS

Sequence of entity 2 (C, D), FASTA

>7RKE_2 Nuclear receptor coactivator 2 (chains C, D)
HKILHRLLQD

Ligands and cofactors

ID	Name	Formula	Copies
5VP	4-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol	C19 H14 Cl N3 O S	2

Primary citation

A New Chemotype of Chemically Tractable Nonsteroidal Estrogens Based on a Thieno[2,3- d ]pyrimidine Core. Sammeta, V.R., Norris, J.D., Artham, S. et al. ACS Med Chem Lett (2022) 13:1151-1158. DOI 10.1021/acsmedchemlett.2c00180 · PubMed

Other PDB entries of the same protein (UniProt P03372 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7BAA 1.1 Å, Cys-42-tethered stabilizer 12 of 14-3-3(sigma)/ERa PPI
8BZC 1.1 Å, co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ244)
8BZW 1.1 Å, Co-soaked stabilizers for ERa - 14-3-3 interaction (844_AZ210)
8C04 1.1 Å, Co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ354)
7B9R 1.15 Å, Cys-45-tethered stabilizer 4 of 14-3-3(sigma)/ERa PPI
7B9T 1.15 Å, Cys-45-tethered stabilizer 5 of 14-3-3(sigma)/ERa PPI
7NFW 1.19 Å, Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide
6HMU 1.2 Å, Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C45 mutant bound to…
7BA8 1.2 Å, Cys-42-tethered stabilizer 10 of 14-3-3(sigma)/ERa PPI
8APS 1.2 Å, Small molecular stabilizer for ERalpha and 14-3-3 (1083744)
8BX3 1.2 Å, fragment-linked stabilizer for ERa - 14-3-3 interaction (1074372)
8BXI 1.2 Å, fragment-linked stabilizer for ERa - 14-3-3 interaction (1074361)

Browse structure collections

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