BMRB Entry 51474

Name: tirE Coiled Coil
Published: 2022-08-08

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51474

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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: tirE Coiled Coil PubMed: 35889366

Deposition date: 2022-05-24 Original release date: 2022-08-08

Authors: Lee, Eunjeong

Citation: Lee, Eunjeong; Redzic, Jasmina; Nemkov, Travis; Saviola, Anthony; Dzieciatkowska, Monika; Hansen, Kirk; D'Alessandro, Angelo; Dinarello, Charles; Eisenmesser, Elan. "Human and Bacterial Toll-Interleukin Receptor Domains Exhibit Distinct Dynamic Features and Functions" Molecules 27, 4494-4494 (2022).

Assembly members:
entity_1, polymer, 146 residues, Formula weight is not available

Natural source: Common Name: Enterococcus faecalis Taxonomy ID: 1351 Superkingdom: Bacteria Kingdom: not available Genus/species: Enterococcus faecalis

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pet21b

Entity Sequences (FASTA):
entity_1: MSINSLQQKEKSLLSDITKL EGDYAREQKKIANSEKKIAD SSKKIESSKSISTIRSQSRI KESETKKSLASKEKSATISS KLAKKRKELGDIQVKLSKQR TIENTQFQKNLKKTYDTQIM KIKETQTAALQNVQSELPND PSLVNK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	328
15N chemical shifts	106
1H chemical shifts	106

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	tirE cc	1

Entities:

Entity 1, tirE cc 146 residues - Formula weight is not available

1

MET

SER

ILE

ASN

SER

LEU

GLN

LYS

GLU

2

LYS

SER

LEU

SER

ASP

ILE

THR

LYS

LEU

3

GLU

GLY

ASP

TYR

ALA

ARG

GLU

GLN

LYS

4

ILE

ALA

ASN

SER

GLU

LYS

ILE

ALA

ASP

5

SER

LYS

ILE

GLU

SER

LYS

SER

6

ILE

SER

THR

ILE

ARG

SER

GLN

SER

ARG

ILE

7

LYS

GLU

SER

GLU

THR

LYS

SER

LEU

ALA

8

SER

LYS

GLU

LYS

SER

ALA

THR

ILE

SER

9

LYS

LEU

ALA

LYS

ARG

LYS

GLU

LEU

GLY

10

ASP

ILE

GLN

VAL

LYS

LEU

SER

LYS

GLN

ARG

11

THR

ILE

GLU

ASN

THR

GLN

PHE

GLN

LYS

ASN

12

LEU

LYS

THR

TYR

ASP

THR

GLN

ILE

MET

13

LYS

ILE

LYS

GLU

THR

GLN

THR

ALA

LEU

14

GLN

ASN

VAL

GLN

SER

GLU

LEU

PRO

ASN

ASP

15

PRO

SER

LEU

VAL

ASN

LYS

Samples:

sample_1: tirE CC, [U-13C; U-15N], 600 uM; D2O, [U-100% 2H], 8%; sodium chloride 150 mM; sodium phosphate 50 mM

sample_conditions_1: ionic strength: 150 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1

Software:

CcpNMR - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 800 MHz

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