BMRB Entry 34583

Name: NMR2 structure of TRIM24-BD in complex with a precursor of IACS-9571
Published: 2022-01-07

Click here to enlarge.

PDB ID: 7b9x
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34583
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

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

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

NMR2 structure of TRIM24-BD in complex with a precursor of IACS-9571

Deposition date:

2020-12-14

Original release date:

2022-01-07

Authors:

Orts, J.; Torres, F.; Milbradt, A.; Walser, R.

Citation:

Citation: Torres, Felix; Walser, Reto; Kaderli, Janina; Rossi, Emanuele; Bobby, Romel; Packer, Martin; Sarda, Sunil; Walker, Graeme; Hitchin, James; Milbradt, Alexander; Orts, Julien. "NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24" J. Med. Chem. 65, 5565-5574 (2022).
PubMed: 35357834

Assembly members:

Assembly members:
entity_1, polymer, 106 residues, 12578.429 Da.
entity_T52, non-polymer, 615.718 Da.

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 BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: TPIDKRKCERLLLFLYCHEM SLAFQDPVPLTVPDYYKIIK NPMDLSTIKKRLQEDYSMYS KPEDFVADFRLIFQNCAEFN EPDSEVANAGIKLENYFEEL LKNLYP

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	62

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1
2	unit_2	2

Entities:

Entity 1, unit_1 106 residues - 12578.429 Da.

1

THR

PRO

ILE

ASP

LYS

ARG

LYS

CYS

GLU

ARG

2

LEU

PHE

LEU

TYR

CYS

HIS

GLU

MET

3

SER

LEU

ALA

PHE

GLN

ASP

PRO

VAL

PRO

LEU

4

THR

VAL

PRO

ASP

TYR

LYS

ILE

LYS

5

ASN

PRO

MET

ASP

LEU

SER

THR

ILE

LYS

6

ARG

LEU

GLN

GLU

ASP

TYR

SER

MET

TYR

SER

7

LYS

PRO

GLU

ASP

PHE

VAL

ALA

ASP

PHE

ARG

8

LEU

ILE

PHE

GLN

ASN

CYS

ALA

GLU

PHE

ASN

9

GLU

PRO

ASP

SER

GLU

VAL

ALA

ASN

ALA

GLY

10

ILE

LYS

LEU

GLU

ASN

TYR

PHE

GLU

LEU

11

LEU

LYS

ASN

LEU

TYR

PRO

Entity 2, unit_2 - C30 H39 N4 O8 S - 615.718 Da.

1

T52

Samples:

sample_1: TRIM24-BD, [U-13C; U-15N], 1.1 mM; HEPES, [U-2H], 50 mM; sodium chloride 100 mM; TCEP 1 mM; D2O, [U-2H], 10%; entity_T52 1.1 mM

sample_2: HEPES, [U-2H], 50 mM; sodium chloride 100 mM; TCEP 1 mM; D2O, [U-2H], 10%; entity_T52 1.1%

sample_conditions_1: ionic strength: 150 mM; pH: 7.4; pressure: 1 bar; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-1H COSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

CARA, Keller and Wuthrich - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AVANCE 800 MHz