BMRB Entry 51093

Name: Backbone 1H, 13C and 15N Chemical Shift Assignments of GB1_pSu9(1-69) construct
Published: 2022-03-21

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51093

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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 of GB1_pSu9(1-69) construct

Deposition date:

2021-09-22

Original release date:

2022-03-21

Authors:

Schanda, Paul; Sucec, Iva; Feignier, Antoine

Citation:

Citation: Schanda, Paul; Sucec, Iva; Feignier, Antoine. "Backbone 1H, 13C and 15N Chemical Shift Assignments of GB1_pSu9(1-69) construct" .

Assembly members:

Assembly members:
entity_1, polymer, 149 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Neurospora crassa Taxonomy ID: 5141 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Neurospora crassa

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET_GB1_pSu9(1-69)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: HHHHHHPMKQYKLILNGKTL KGETTTEAVDAATAEKVFKQ YANDNGVDGEWTYDDATKTF TVTEGSGSGSENLYFQGHMA STRVLASRLASQMAASAKVA RPAVRVAQVSKRTIQTGSPL QTLKRTQMTSIVNATTRQAF QKRAYSSLE

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list

Data type	Count
13C chemical shifts	353
15N chemical shifts	122
1H chemical shifts	122

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	GB1_pSu9(1-69)	1

Entities:

Entity 1, GB1_pSu9(1-69) 149 residues - Formula weight is not available

1

HIS

PRO

MET

LYS

GLN

2

TYR

LYS

LEU

ILE

LEU

ASN

GLY

LYS

THR

LEU

3

LYS

GLY

GLU

THR

GLU

ALA

VAL

ASP

4

ALA

THR

ALA

GLU

LYS

VAL

PHE

LYS

GLN

5

TYR

ALA

ASN

ASP

ASN

GLY

VAL

ASP

GLY

GLU

6

TRP

THR

TYR

ASP

ALA

THR

LYS

THR

PHE

7

THR

VAL

THR

GLU

GLY

SER

GLY

SER

GLY

SER

8

GLU

ASN

LEU

TYR

PHE

GLN

GLY

HIS

MET

ALA

9

SER

THR

ARG

VAL

LEU

ALA

SER

ARG

LEU

ALA

10

SER

GLN

MET

ALA

SER

ALA

LYS

VAL

ALA

11

ARG

PRO

ALA

VAL

ARG

VAL

ALA

GLN

VAL

SER

12

LYS

ARG

THR

ILE

GLN

THR

GLY

SER

PRO

LEU

13

GLN

THR

LEU

LYS

ARG

THR

GLN

MET

THR

SER

14

ILE

VAL

ASN

ALA

THR

ARG

GLN

ALA

PHE

15

GLN

LYS

ARG

ALA

TYR

SER

LEU

GLU

Samples:

sample_1: GB1_pSu9(1-69), [U-100% 13C; U-100% 15N], 698 uM; H2O 55.5 M; D2O 10%; sodium chloride 100 mM; TRIS 20 mM

sample_conditions_1: pH: 7; temperature: 293.15 K

sample_conditions_2: pH: 7; temperature: 298.15 K

sample_conditions_3: pH: 7; temperature: 300.15 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 HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HN(CO)CACB	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_2
3D HNCACB	sample_1	isotropic	sample_conditions_3
3D HN(CO)CA	sample_1	isotropic	sample_conditions_3
HncocaNH	sample_1	isotropic	sample_conditions_1
HncacoNH	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN - collection, processing

CcpNMR - chemical shift assignment, peak picking

CYANA - data analysis

TALOS+ - data analysis

NMR spectrometers:

Bruker Ascend 700 MHz
Bruker Ascend 600 MHz

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