BMRB Entry 50524

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for c-FLIPs_C8-1a compex
Published: 2022-10-14

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50524

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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, and 15N Chemical Shift Assignments for c-FLIPs_C8-1a compex

Deposition date:

2020-10-20

Original release date:

2022-10-14

Authors:

Hu, Kaifeng; Bai, Zhiqiang

Citation:

Citation: Hu, Kaifeng; Bai, Zhiqiang. "Expression, purification, and characterization of c-FLIP tandem death effector domains from Escherichia coli" Protein Expr. Purif. 200, 106168-106168 (2022).
PubMed: 36084903

Assembly members:

Assembly members:
entity_1, polymer, 185 residues, Formula weight is not available
entity_2, polymer, 8 residues, Formula weight is not available

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MGRSDSAEVIHQVEEALDTD EKEMLLFLCRDVAIDVVPPN VRDLLDILRERGKLSVGDLA ELLYRVRRFDLLKRILKMDR KAVETHLLRNPHLVSDYRVL MAEIGEDLDKSDVSSLIGLM KDYMGRGKISKEKSFLDLVV ELEKLNLVAPDQLDLLEKCL KNIHRIDLKTKIQKYKQLEH HHHHH
entity_2: DFSRNLYD

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	746
15N chemical shifts	179
1H chemical shifts	1259

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	c-FLIPs	1
2	C8-1a	2

Entities:

Entity 1, c-FLIPs 185 residues - Formula weight is not available

1

MET

GLY

ARG

SER

ASP

SER

ALA

GLU

VAL

ILE

2

HIS

GLN

VAL

GLU

ALA

LEU

ASP

THR

ASP

3

GLU

LYS

GLU

MET

LEU

PHE

LEU

CYS

ARG

4

ASP

VAL

ALA

ILE

ASP

VAL

PRO

ASN

5

VAL

ARG

ASP

LEU

ASP

ILE

LEU

ARG

GLU

6

ARG

GLY

LYS

LEU

SER

VAL

GLY

ASP

LEU

ALA

7

GLU

LEU

TYR

ARG

VAL

ARG

PHE

ASP

8

LEU

LYS

ARG

ILE

LEU

LYS

MET

ASP

ARG

9

LYS

ALA

VAL

GLU

THR

HIS

LEU

ARG

ASN

10

PRO

HIS

LEU

VAL

SER

ASP

TYR

ARG

VAL

LEU

11

MET

ALA

GLU

ILE

GLY

GLU

ASP

LEU

ASP

LYS

12

SER

ASP

VAL

SER

LEU

ILE

GLY

LEU

MET

13

LYS

ASP

TYR

MET

GLY

ARG

GLY

LYS

ILE

SER

14

LYS

GLU

LYS

SER

PHE

LEU

ASP

LEU

VAL

15

GLU

LEU

GLU

LYS

LEU

ASN

LEU

VAL

ALA

PRO

16

ASP

GLN

LEU

ASP

LEU

GLU

LYS

CYS

LEU

17

LYS

ASN

ILE

HIS

ARG

ILE

ASP

LEU

LYS

THR

18

LYS

ILE

GLN

LYS

TYR

LYS

GLN

LEU

GLU

HIS

19

HIS

Entity 2, C8-1a 8 residues - Formula weight is not available

1

ASP

PHE

SER

ARG

ASN

LEU

TYR

ASP

Samples:

sample_1: c-FLIPs, [U-99% 13C; U-99% 15N], 0.6 mM; C8-1a 4.2 mM

sample_2: C8-1a 10 mM; c-FLIPs, [U-100% 15N], 0.6 mM

sample_conditions_1: ionic strength: 110 mM; pH: 7.5; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 110 mM; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 13C-15N Filtered NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_2
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_2
2D 1H-1H ROESY	sample_2	isotropic	sample_conditions_2
2D 1H-1H 13C-15N Filtered NOESY	sample_1	isotropic	sample_conditions_1

Software:

SPARKY - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 700 MHz

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