BMRB Entry 51524

Name: BARD1 Ser-141-216: complex with dsDNA
Published: 2023-04-17

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51524

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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:

BARD1 Ser-141-216: complex with dsDNA

Deposition date:

2022-07-20

Original release date:

2023-04-17

Authors:

Witus, Samuel; Tuttle, Lisa; Zelter, Alex; Kermoade, Klaiten; Wilburn, Damien; Zhao, Weixing; Davis, Trisha; Brzovic, Peter; Klevit, Rachel

Citation:

Citation: Witus, Samuel; Tuttle, Lisa; Li, Wenjing; Zelter, Alex; Wang, Meiling; Kermoade, Klaiten; Wilburn, Damien; Davis, Trisha; Brzovic, Peter; Zhao, Weixing; Klevit, Rachel. "BRCA1/BARD1 intrinsically disordered regions facilitate chromatin recruitment and ubiquitylation" EMBO J. 42, e113565-e113565 (2023).
PubMed: 37305927

Assembly members:

Assembly members:
entity_1, polymer, 77 residues, Formula weight is not available
entity_2, polymer, 36 residues, Formula weight is not available
entity_3, polymer, 36 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: pET28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SNSIKMWFSPRSKKVRYVVS KASVQTQPAIKKDASAQQDS YEFVSPSPPADVSERAKKAS ARSGKKQKKKTLAEINQ
entity_2: CCTACGACGCCTGGGGTACC AGCGCAATTGTGTACC
entity_3: GGTACACAATTGCGCTGGTA CCCCAGGCGTCGTAGG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	143
15N chemical shifts	64
1H chemical shifts	64

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	BARD1 Ser-141-216	1
2	dsDNA, chain 1	2
3	dsDNA, chain 2	3

Entities:

Entity 1, BARD1 Ser-141-216 77 residues - Formula weight is not available

1

SER

ASN

SER

ILE

LYS

MET

TRP

PHE

SER

PRO

2

ARG

SER

LYS

VAL

ARG

TYR

VAL

SER

3

LYS

ALA

SER

VAL

GLN

THR

GLN

PRO

ALA

ILE

4

LYS

ASP

ALA

SER

ALA

GLN

ASP

SER

5

TYR

GLU

PHE

VAL

SER

PRO

SER

PRO

ALA

6

ASP

VAL

SER

GLU

ARG

ALA

LYS

ALA

SER

7

ALA

ARG

SER

GLY

LYS

GLN

LYS

8

THR

LEU

ALA

GLU

ILE

ASN

GLN

Entity 2, dsDNA, chain 1 36 residues - Formula weight is not available

1

DC

DT

DA

DC

DG

DA

DC

DG

DC

2

DC

DT

DG

DT

DA

DC

3

DA

DG

DC

DG

DC

DA

DT

DG

4

DT

DG

DT

DA

DC

Entity 3, dsDNA, chain 2 36 residues - Formula weight is not available

1

DG

DT

DA

DC

DA

DC

DA

DT

2

DT

DG

DC

DG

DC

DT

DG

DT

DA

3

DC

DA

DG

DC

DG

DT

4

DC

DG

DT

DA

DG

Samples:

sample_1: BARD1 Ser-141-216, [U-100% 13C; U-100% 15N], 150 uM; D2O, [U-100% 2H], 7%; MOPS-NaOH 25 mM; sodium chloride 100 mM; EDTA 1 mM; TCEP 0.5 mM; dsDNA-top 150 uM; dsDNA-bottom 150 uM

sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCACONH	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v3.6.4 - collection

NMRPipe v9.6 rev 2018.143.16.03 - processing

NMRViewJ v9.2.0-b20 - chemical shift assignment

NMR spectrometers:

Bruker Avance 800 MHz

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