BMRB Entry 28077

Name: Backbone 1H, 13C, 15N chemical shift assignments for BRCT_S3R_V63A
Published: 2020-03-09

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR28077

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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:

Backbone 1H, 13C, 15N chemical shift assignments for BRCT_S3R_V63A

Deposition date:

2020-02-09

Original release date:

2020-03-09

Authors:

Ampapathi, Ravi; Vaishnav, Jayanti; Alam, Faiyaz

Citation:

Citation: Ampapathi, Ravi; Vaishnav, Jayanti; Alam, Faiyaz. "'Backbone 1H, 13C, 15N chemical shift assignments of BRCT'" The BMRB entry is the only known published source for the data..

Assembly members:

Assembly members:
BRCA1_C-terminal_(BRCT)_domain, polymer, 116 residues, 12167.65 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: 1773 Superkingdom: Bacteria Kingdom: not available Genus/species: Mycobacterium tuberculosis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21d

Entity Sequences (FASTA):

Entity Sequences (FASTA):
BRCA1_C-terminal_(BRCT)_domain: MASMTGGQQMGRGSEFDERV PRTLAGLTIVVTGSLTGFSR DDAKEAIVARGGKAAGSVSK KTNYVVAGDSPGSKYDKAAE LGVPILDEDGFRRLLADGPA SRTKLAAALEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	220
15N chemical shifts	72
1H chemical shifts	72

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	BRCT	1

Entities:

Entity 1, BRCT 116 residues - 12167.65 Da.

Residues 1-16, 104-110 are from the vector and residues 111-116 is a HIS-Tag

1

MET

ALA

SER

MET

THR

GLY

GLN

MET

2

GLY

ARG

GLY

SER

GLU

PHE

ASP

GLU

ARG

VAL

3

PRO

ARG

THR

LEU

ALA

GLY

LEU

THR

ILE

VAL

4

VAL

THR

GLY

SER

LEU

THR

GLY

PHE

SER

ARG

5

ASP

ALA

LYS

GLU

ALA

ILE

VAL

ALA

ARG

6

GLY

LYS

ALA

GLY

SER

VAL

SER

LYS

7

LYS

THR

ASN

TYR

VAL

ALA

GLY

ASP

SER

8

PRO

GLY

SER

LYS

TYR

ASP

LYS

ALA

GLU

9

LEU

GLY

VAL

PRO

ILE

LEU

ASP

GLU

ASP

GLY

10

PHE

ARG

LEU

ALA

ASP

GLY

PRO

ALA

11

SER

ARG

THR

LYS

LEU

ALA

LEU

GLU

12

HIS

Samples:

sample_1: BRCA1 C-terminal (BRCT) domain, [U-99% 13C; U-99% 15N], 0.5 mM

sample_conditions_1: ionic strength: 200 mM; pH: 8.0; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	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

Software:

SPARKY v3.113, Goddard - chemical shift assignment

NMR spectrometers:

Agilent DD2 700 MHz

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