BMRB Entry 30796

Name: Solution NMR Structure of the Coiled-coil BRCA1-PALB2 Heterodimer
Published: 2021-09-22

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PDB ID: 7k3s
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30796
MolProbity Validation Chart

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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:

Solution NMR Structure of the Coiled-coil BRCA1-PALB2 Heterodimer

Deposition date:

2020-09-13

Original release date:

2021-09-22

Authors:

Daigham, N.; Liu, G.; Bunting, S.; Montelione, G.

Citation:

Citation: Daigham, N.; Liu, G.; Bunting, S.; Montelione, G.. "The Structural Basis for Interactions Between PALB2 and BRCA1 that Mediate the Homologous Recombination DNA Damage Repair Process" .

Assembly members:

Assembly members:
entity_1, polymer, 60 residues, 6935.690 Da.
entity_2, polymer, 68 residues, 7948.166 Da.

Natural source:

Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: MmR494A-1337-1387

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MNLSEDCSQSDILTTQQRAT MKYNLIKLQQEMAHLEAVLE QRGNQPSGHSPSLEHHHHHH
entity_2: MEELSGKPLSYAEKEKLKEK LAFLKKEYSRTLARLQRAKR AEKAKNSKKAIEDGVPQPEA LEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list

Data type	Count
13C chemical shifts	367
15N chemical shifts	111
1H chemical shifts	776

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

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

Entities:

Entity 1, unit_1 60 residues - 6935.690 Da.

1	MET	ASN	LEU	SER	GLU	ASP	CYS	SER	GLN	SER
2	ASP	ILE	LEU	THR	THR	GLN	GLN	ARG	ALA	THR
3	MET	LYS	TYR	ASN	LEU	ILE	LYS	LEU	GLN	GLN
4	GLU	MET	ALA	HIS	LEU	GLU	ALA	VAL	LEU	GLU
5	GLN	ARG	GLY	ASN	GLN	PRO	SER	GLY	HIS	SER
6	PRO	SER	LEU	GLU	HIS	HIS	HIS	HIS	HIS	HIS

Entity 2, unit_2 68 residues - 7948.166 Da.

1

MET

GLU

LEU

SER

GLY

LYS

PRO

LEU

SER

2

TYR

ALA

GLU

LYS

GLU

LYS

LEU

LYS

GLU

LYS

3

LEU

ALA

PHE

LEU

LYS

GLU

TYR

SER

ARG

4

THR

LEU

ALA

ARG

LEU

GLN

ARG

ALA

LYS

ARG

5

ALA

GLU

LYS

ALA

LYS

ASN

SER

LYS

ALA

6

ILE

GLU

ASP

GLY

VAL

PRO

GLN

PRO

GLU

ALA

7

LEU

GLU

HIS

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC NH2 only	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC NH2 only	sample_2	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_2	isotropic	sample_conditions_1
3D HN(CO)CA	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1

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

BMRB Entry 30796

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

1	MET	ASN	LEU	SER	GLU	ASP	CYS	SER	GLN	SER
2	ASP	ILE	LEU	THR	THR	GLN	GLN	ARG	ALA	THR
3	MET	LYS	TYR	ASN	LEU	ILE	LYS	LEU	GLN	GLN
4	GLU	MET	ALA	HIS	LEU	GLU	ALA	VAL	LEU	GLU
5	GLN	ARG	GLY	ASN	GLN	PRO	SER	GLY	HIS	SER
6	PRO	SER	LEU	GLU	HIS	HIS	HIS	HIS	HIS	HIS

1	MET	ASN	LEU	SER	GLU	ASP	CYS	SER	GLN	SER
2	ASP	ILE	LEU	THR	THR	GLN	GLN	ARG	ALA	THR
3	MET	LYS	TYR	ASN	LEU	ILE	LYS	LEU	GLN	GLN
4	GLU	MET	ALA	HIS	LEU	GLU	ALA	VAL	LEU	GLU
5	GLN	ARG	GLY	ASN	GLN	PRO	SER	GLY	HIS	SER
6	PRO	SER	LEU	GLU	HIS	HIS	HIS	HIS	HIS	HIS

1	MET	ASN	LEU	SER	GLU	ASP	CYS	SER	GLN	SER
2	ASP	ILE	LEU	THR	THR	GLN	GLN	ARG	ALA	THR
3	MET	LYS	TYR	ASN	LEU	ILE	LYS	LEU	GLN	GLN
4	GLU	MET	ALA	HIS	LEU	GLU	ALA	VAL	LEU	GLU
5	GLN	ARG	GLY	ASN	GLN	PRO	SER	GLY	HIS	SER
6	PRO	SER	LEU	GLU	HIS	HIS	HIS	HIS	HIS	HIS