BMRB Entry 52179

Name: Backbone assignement of the antiapoptic protein human Bfl-1
Published: 2024-03-04

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52179

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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 assignement of the antiapoptic protein human Bfl-1

Deposition date:

2023-10-19

Original release date:

2024-03-04

Authors:

Favaro, Annagiulia; Sturlese, Mattia

Citation:

Citation: Favaro, Annagiulia; Sturlese, Mattia. "A Novel NMR-Based Protocol to Screen Ultralow Molecular Weight Fragments" J. Med. Chem. 67, 3874-3884 (2024).
PubMed: 38426508

Assembly members:

Assembly members:
entity_1, polymer, 151 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: pETSUMOChampionTM

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MTDSEFGYIYRLAQDYLQSV LQIPQPGSGPSKTSRVLQNV AFSVQKEVEKNLKSCLDNVN VVSVDTARTLFNQVMEKEFE DGIINWGRIVTIFAFEGILI KKLLRQQIAPDVDTYKEISY FVAEFIMNNTGEWIRQNGGW ENGFVKKFEPK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	220
15N chemical shifts	117
1H chemical shifts	117

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	human Bfl-1	1

Entities:

Entity 1, human Bfl-1 151 residues - Formula weight is not available

1

MET

THR

ASP

SER

GLU

PHE

GLY

TYR

ILE

TYR

2

ARG

LEU

ALA

GLN

ASP

TYR

LEU

GLN

SER

VAL

3

LEU

GLN

ILE

PRO

GLN

PRO

GLY

SER

GLY

PRO

4

SER

LYS

THR

SER

ARG

VAL

LEU

GLN

ASN

VAL

5

ALA

PHE

SER

VAL

GLN

LYS

GLU

VAL

GLU

LYS

6

ASN

LEU

LYS

SER

CYS

LEU

ASP

ASN

VAL

ASN

7

VAL

SER

VAL

ASP

THR

ALA

ARG

THR

LEU

8

PHE

ASN

GLN

VAL

MET

GLU

LYS

GLU

PHE

GLU

9

ASP

GLY

ILE

ASN

TRP

GLY

ARG

ILE

VAL

10

THR

ILE

PHE

ALA

PHE

GLU

GLY

ILE

LEU

ILE

11

LYS

LEU

ARG

GLN

ILE

ALA

PRO

12

ASP

VAL

ASP

THR

TYR

LYS

GLU

ILE

SER

TYR

13

PHE

VAL

ALA

GLU

PHE

ILE

MET

ASN

THR

14

GLY

GLU

TRP

ILE

ARG

GLN

ASN

GLY

TRP

15

GLU

ASN

GLY

PHE

VAL

LYS

PHE

GLU

PRO

16

LYS

Samples:

sample_1: human Bfl-1, [U-100% 13C; U-100% 15N], 400 uM

sample_conditions_1: pH: 7.1; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N TROSY	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1

Software:

CARA - chemical shift assignment, peak picking

TOPSPIN - collection, processing

NMR spectrometers:

Bruker AVANCE NEO 600 MHz

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