BMRB Entry 53096

Name: Estrogen Receptor alpha Activation Domain (ERa AD)
Published: 2026-01-07

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53096

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Estrogen Receptor alpha Activation Domain (ERa AD)

Deposition date:

2025-05-05

Original release date:

2026-01-07

Authors:

Bielskute, Stase; Mateos, Borja; Garcia, Jesus; Salvatella, Xavier

Citation:

Citation: Bielskute, Stase; Mateos, Borja; Awawdy, Muhammad; Garcia-Cabau, Carla; Niskanen, Henri; Sanchez-Zarzalejo, Carolina; Bracaglia, Lorenzo; Pierattelli, Roberta; Felli, Isabella; Frigole-Vivas, Marta; Garcia, Jesus; Riera, Antoni; Hnisz, Denes; Salvatella, Xavier. "Oligomerization enables the selective targeting of an intrinsically disordered region by a small molecule" Sci. Adv. ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 184 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pDEST17

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MTMTLHTKASGMALLHQIQG NELEPLNRPQLKIPLERPLG EVYLDSSKPAVYNYPEGAAY EFNAAAAANAQVYGQTGLPY GPGSEAAAFGSNGLGGFPPL NSVSPSPLMLLHPPPQLSPF LQPHGQQVPYYLENEPSGYT VREAGPPAFYRPNSDNRRQG GRERLASTNDKGSMAMESAK ETRY

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	484
15N chemical shifts	153
1H chemical shifts	153

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ERa AD	1

Entities:

Entity 1, ERa AD 184 residues - Formula weight is not available

1

MET

THR

MET

THR

LEU

HIS

THR

LYS

ALA

SER

2

GLY

MET

ALA

LEU

HIS

GLN

ILE

GLN

GLY

3

ASN

GLU

LEU

GLU

PRO

LEU

ASN

ARG

PRO

GLN

4

LEU

LYS

ILE

PRO

LEU

GLU

ARG

PRO

LEU

GLY

5

GLU

VAL

TYR

LEU

ASP

SER

LYS

PRO

ALA

6

VAL

TYR

ASN

TYR

PRO

GLU

GLY

ALA

TYR

7

GLU

PHE

ASN

ALA

ASN

ALA

8

GLN

VAL

TYR

GLY

GLN

THR

GLY

LEU

PRO

TYR

9

GLY

PRO

GLY

SER

GLU

ALA

PHE

GLY

10

SER

ASN

GLY

LEU

GLY

PHE

PRO

LEU

11

ASN

SER

VAL

SER

PRO

SER

PRO

LEU

MET

LEU

12

LEU

HIS

PRO

GLN

LEU

SER

PRO

PHE

13

LEU

GLN

PRO

HIS

GLY

GLN

VAL

PRO

TYR

14

TYR

LEU

GLU

ASN

GLU

PRO

SER

GLY

TYR

THR

15

VAL

ARG

GLU

ALA

GLY

PRO

ALA

PHE

TYR

16

ARG

PRO

ASN

SER

ASP

ASN

ARG

GLN

GLY

17

GLY

ARG

GLU

ARG

LEU

ALA

SER

THR

ASN

ASP

18

LYS

GLY

SER

MET

ALA

MET

GLU

SER

ALA

LYS

19

GLU

THR

ARG

TYR

Samples:

sample_1: ERa AD, [U-100% 13C; U-100% 15N], 150 uM; D2O, [U-100% 2H], 10%; DSS 10 uM; sodium azide 0.05%; sodium phosphate 20 mM; TCEP 1 mM

sample_conditions_1: ionic strength: 100 mM; pH: 7.4; pressure: 1 atm; temperature: 278 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CACB	sample_1	isotropic	sample_conditions_1
3D HN(CA)NNH	sample_1	isotropic	sample_conditions_1

Software:

CcpNMR - chemical shift assignment, data analysis

TOPSPIN - collection

NMRPipe - processing

qMDD - processing

NMR spectrometers:

Bruker AVANCE NEO 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks