BMRB Entry 27481

Name: Partial 1H, 13C, and 15N assignments of DFsc
Published: 2019-10-22

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27481

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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:

Partial 1H, 13C, and 15N assignments of DFsc

Deposition date:

2018-05-15

Original release date:

2019-10-22

Authors:

Volkov, Alexander; Makhlynets, Olga

Citation:

Citation: Yoon, Jennifer; Kulesha, Alona; Lengyel-Zhand, Zsofia; Volkov, Alexander; Rempillo, Joel; D'Souza, Areetha; Costeas, Christos; Chester, Cara; Caselle, Elizabeth; Makhlynets, Olga. "Uno Ferro, a de novo designed protein, binds transition metals with high affinity and stabilizes semiquinone radical anion" Chemistry 25, 15252-15256 (2019).
PubMed: 31509280

Assembly members:

Assembly members:
DFsc, polymer, 115 residues, Formula weight is not available

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pMCSG49

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DFsc: NDELRELLKAEQQAIKIYKE VLKKAKEGDEQELARLIQEI VKAEKQAVKVYKEAAEKARN PEKRQVIDKILEDEEKHIEW LKAASKQGNAEQFASLVQQI LQDEQRHVEEIEKKN

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	414
15N chemical shifts	124
1H chemical shifts	658

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DFsc	1

Entities:

Entity 1, DFsc 115 residues - Formula weight is not available

1

ASN

ASP

GLU

LEU

ARG

GLU

LEU

LYS

ALA

2

GLU

GLN

ALA

ILE

LYS

ILE

TYR

LYS

GLU

3

VAL

LEU

LYS

ALA

LYS

GLU

GLY

ASP

GLU

4

GLN

GLU

LEU

ALA

ARG

LEU

ILE

GLN

GLU

ILE

5

VAL

LYS

ALA

GLU

LYS

GLN

ALA

VAL

LYS

VAL

6

TYR

LYS

GLU

ALA

GLU

LYS

ALA

ARG

ASN

7

PRO

GLU

LYS

ARG

GLN

VAL

ILE

ASP

LYS

ILE

8

LEU

GLU

ASP

GLU

LYS

HIS

ILE

GLU

TRP

9

LEU

LYS

ALA

SER

LYS

GLN

GLY

ASN

ALA

10

GLU

GLN

PHE

ALA

SER

LEU

VAL

GLN

ILE

11

LEU

GLN

ASP

GLU

GLN

ARG

HIS

VAL

GLU

12

ILE

GLU

LYS

ASN

Samples:

sample_1: DFsc, [U-99% 13C; U-99% 15N], 0.8 mM; MES 25 mM; NaCl 100 mM; D2O, [U-100% 2H], 10%

sample_conditions_1: ionic strength: 0.1 M; pH: 6.0; pressure: 1 atm; temperature: 300 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 HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
2D (HB)CB(CGCD)HD	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

CcpNMR, CCPN - chemical shift assignment, data analysis, peak picking

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