5N10: Estrogen receptor

Cucurbit[8]uril and 14-3-3 based binary bivalent supramolecular-protein assembly platform. Determined by X-ray diffraction at 1.6 Å resolution. Released 24 May 2017.

Method: X-ray diffraction
Resolution: 1.6 Å
Organism: Homo sapiens
Chains: 5
Atoms: 4,894
Mol. weight: 62.52 kDa
Ligands: C8L
Released: 24 May 2017

Explore 5N10 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5N10 contains 31 α-helices and 0 β-strands across 3 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: 13 helices, 0 β-strands

Element	Residues	Length
α-helix	5-17	13
α-helix	21-32	12
α-helix	37-39	3
α-helix	40-70	31
α-helix	78-102	25
α-helix	103-107	5
α-helix	114-134	21
α-helix	137-161	25
α-helix	167-178	12
α-helix	179-183	5
α-helix	187-203	17
α-helix	205-207	3
α-helix	213-231	19

Chain B: 15 helices, 0 β-strands

Element	Residues	Length
α-helix	5-17	13
α-helix	21-33	13
α-helix	37-39	3
α-helix	40-70	31
α-helix	71-72	2
α-helix	75-102	28
α-helix	103-107	5
α-helix	108-110	3
α-helix	114-134	21
α-helix	137-161	25
α-helix	169-178	10
α-helix	179-183	5
α-helix	187-202	16
α-helix	205-207	3
α-helix	210-230	21

Chain C: 3 helices, 0 β-strands

Element	Residues	Length
α-helix	583-585	3
α-helix	588-590	3
α-helix	591-593	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Estrogen receptor	C, D, F	protein	15	Homo sapiens	P03372 (AlphaFold model)
14-3-3 protein beta/alpha	A	protein	246	Homo sapiens	P31946 (AlphaFold model)
14-3-3 protein beta/alpha	B	protein	249	Homo sapiens	P31946 (AlphaFold model)

Sequence of entity 1 (C, D, F), FASTA

>5N10_1 Estrogen receptor (chains C, D, F)
FGGITGEAEGFPATV

Sequence of entity 2 (A), FASTA

>5N10_2 14-3-3 protein beta/alpha (chains A)
MTMDKSELVQKAKLAEQAERYDDMAAAMKAVTEQGHELSNEERNLLSVAYKNVVGARRSS
WRVISSIEQKTERNEKKQQMGKEYREKIEAELQDICNDVLELLDKYLIPNATQPESKVFY
LKMKGDYFRYLSEVASGDNKQTTVSNSQQAYQEAFEISKKEMQPTHPIRLGLALNFSVFY
YEILNSPEKACSLAKTAFDEAIAELDTLNEESYKDSTLIMQLLRDNLTLWTSENQGDEGD
AGEGEN

Sequence of entity 3 (B), FASTA

>5N10_3 14-3-3 protein beta/alpha (chains B)
QGSMTMDKSELVQKAKLAEQAERYDDMAAAMKAVTEQGHELSNEERNLLSVAYKNVVGAR
RSSWRVISSIEQKTERNEKKQQMGKEYREKIEAELQDICNDVLELLDKYLIPNATQPESK
VFYLKMKGDYFRYLSEVASGDNKQTTVSNSQQAYQEAFEISKKEMQPTHPIRLGLALNFS
VFYYEILNSPEKACSLAKTAFDEAIAELDTLNEESYKDSTLIMQLLRDNLTLWTSENQGD
EGDAGEGEN

Ligands and cofactors

ID	Name	Formula	Copies
C8L	Cucurbit[8]uril	C48 H48 N32 O16	1

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

Primary citation

A Binary Bivalent Supramolecular Assembly Platform Based on Cucurbit[8]uril and Dimeric Adapter Protein 14-3-3. de Vink, P.J., Briels, J.M., Schrader, T. et al. Angew Chem Int Ed Engl (2017) 56:8998-9002. DOI 10.1002/anie.201701807 · 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)

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