BMRB Entry 50231

Name: BRCA1 219-504 Chemical Shift Assignment
Published: 2020-06-24

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50231

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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:

BRCA1 219-504 Chemical Shift Assignment

Deposition date:

2020-04-12

Original release date:

2020-06-24

Authors:

Gorka, Michal; Zerko, Szymon; Konrat, Robert; Kozminski, Wiktor; Kurzbach, Dennis

Citation:

Citation: Gorka, Michal; Zerko, Szymon; Konrat, Robert; Kozminski, Wiktor; Kurzbach, Dennis. "1H, 13C and 15N backbone resonance assignment of BRCA1 fragment 219-504" Biomol. NMR Assign. 14, 289-293 (2020).
PubMed: 32583165

Assembly members:

Assembly members:
entity_1, polymer, 286 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: pet52b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DSAKKAACEFSETDVTNTEH HQPSNNDLNTTEKRAAERHP EKYQGSSVSNLHVEPCGTNT HASSLQHENSSLLLTKDRMN VEKAEFCNKSKQPGLARSQH NRWAGSKETCNDRRTPSTEK KVDLNADPLCERKEWNKQKL PCSENPRDTEDVPWITLNSS IQKVNEWFSRSDELLGSDDS HDGESESNAKVADVLDVLNE VDEYSGSSEKIDLLASDPHE ALICKSERVHSKSVESNIED KIFGKTYRKKASLPNLSHVT ENLIIGAFVTEPQIIQERPL TNKLKR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	752
15N chemical shifts	255
1H chemical shifts	984

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	BRCA1	1

Entities:

Entity 1, BRCA1 286 residues - Formula weight is not available

1

ASP

SER

ALA

LYS

ALA

CYS

GLU

PHE

2

SER

GLU

THR

ASP

VAL

THR

ASN

THR

GLU

HIS

3

HIS

GLN

PRO

SER

ASN

ASP

LEU

ASN

THR

4

THR

GLU

LYS

ARG

ALA

GLU

ARG

HIS

PRO

5

GLU

LYS

TYR

GLN

GLY

SER

VAL

SER

ASN

6

LEU

HIS

VAL

GLU

PRO

CYS

GLY

THR

ASN

THR

7

HIS

ALA

SER

LEU

GLN

HIS

GLU

ASN

SER

8

SER

LEU

THR

LYS

ASP

ARG

MET

ASN

9

VAL

GLU

LYS

ALA

GLU

PHE

CYS

ASN

LYS

SER

10

LYS

GLN

PRO

GLY

LEU

ALA

ARG

SER

GLN

HIS

11

ASN

ARG

TRP

ALA

GLY

SER

LYS

GLU

THR

CYS

12

ASN

ASP

ARG

THR

PRO

SER

THR

GLU

LYS

13

LYS

VAL

ASP

LEU

ASN

ALA

ASP

PRO

LEU

CYS

14

GLU

ARG

LYS

GLU

TRP

ASN

LYS

GLN

LYS

LEU

15

PRO

CYS

SER

GLU

ASN

PRO

ARG

ASP

THR

GLU

16

ASP

VAL

PRO

TRP

ILE

THR

LEU

ASN

SER

17

ILE

GLN

LYS

VAL

ASN

GLU

TRP

PHE

SER

ARG

18

SER

ASP

GLU

LEU

GLY

SER

ASP

SER

19

HIS

ASP

GLY

GLU

SER

GLU

SER

ASN

ALA

LYS

20

VAL

ALA

ASP

VAL

LEU

ASP

VAL

LEU

ASN

GLU

21

VAL

ASP

GLU

TYR

SER

GLY

SER

GLU

LYS

22

ILE

ASP

LEU

ALA

SER

ASP

PRO

HIS

GLU

23

ALA

LEU

ILE

CYS

LYS

SER

GLU

ARG

VAL

HIS

24

SER

LYS

SER

VAL

GLU

SER

ASN

ILE

GLU

ASP

25

LYS

ILE

PHE

GLY

LYS

THR

TYR

ARG

LYS

26

ALA

SER

LEU

PRO

ASN

LEU

SER

HIS

VAL

THR

27

GLU

ASN

LEU

ILE

GLY

ALA

PHE

VAL

THR

28

GLU

PRO

GLN

ILE

GLN

GLU

ARG

PRO

LEU

29

THR

ASN

LYS

LEU

LYS

ARG

Samples:

sample_1: BRCA1 fragment 219-504, [U-100% 13C; U-100% 15N], 0.3 mM; D2O 10%; MES 20 mM; beta-mercaptoethanol 1 mM; sodium chloride 100 mM; arginine hydrocholride 100 mM

sample_conditions_1: ionic strength: 0.23 M; pH: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
5D HN(CA)CONH	sample_1	isotropic	sample_conditions_1
4D H(NCA)CONH	sample_1	isotropic	sample_conditions_1
4D (H)N(CA)CONH	sample_1	isotropic	sample_conditions_1
5D HabCabCONH	sample_1	isotropic	sample_conditions_1

Software:

NMRFAM-SPARKY - chemical shift assignment, data analysis

TSAR - 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