BMRB Entry 27778

Name: Backbone chemical shift assignments of human kappa-casein fragment 24 134 at pH 3.9
Published: 2019-08-15

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27778

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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 chemical shift assignments of human kappa-casein fragment 24 134 at pH 3.9

Deposition date:

2019-02-08

Original release date:

2019-08-15

Authors:

Shernyukov, Andrey; Ovcherenko, Sergey

Citation:

Citation: Chinak, Olga; Shernyukov, Andrey; Ovcherenko, Sergey; Sviridov, Evgeniy; Golyshev, Victor; Fomin, Alexander; Pyshnaya, Inna; Kuligina, Elena; Richter, Vladimir; Bagryanskaya, Elena. "Structural and Aggregation Features of a Human k-Casein Fragment with Antitumor and Cell-Penetrating Properties" Molecules 24, E2919-E2919 (2019).
PubMed: 31408975

Assembly members:

Assembly members:
RL2, polymer, 121 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: pGSDI/RL2

Entity Sequences (FASTA):

Entity Sequences (FASTA):
RL2: MNQKQPACHENDERPFYQKT APYVPMYYVPNSYPYYGTNL YQRRPAIAINNPYVPRTYYA NPAVVRPHAQIPQRQYLPNS HPPTVVRRPNLHPSFIAIPP KKIQDKIIIPTIGGSHHHHH H

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	354
15N chemical shifts	99
1H chemical shifts	198

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	RL2	1

Entities:

Entity 1, RL2 121 residues - Formula weight is not available

1

MET

ASN

GLN

LYS

GLN

PRO

ALA

CYS

HIS

GLU

2

ASN

ASP

GLU

ARG

PRO

PHE

TYR

GLN

LYS

THR

3

ALA

PRO

TYR

VAL

PRO

MET

TYR

VAL

PRO

4

ASN

SER

TYR

PRO

TYR

GLY

THR

ASN

LEU

5

TYR

GLN

ARG

PRO

ALA

ILE

ALA

ILE

ASN

6

ASN

PRO

TYR

VAL

PRO

ARG

THR

TYR

ALA

7

ASN

PRO

ALA

VAL

ARG

PRO

HIS

ALA

GLN

8

ILE

PRO

GLN

ARG

GLN

TYR

LEU

PRO

ASN

SER

9

HIS

PRO

THR

VAL

ARG

PRO

ASN

10

LEU

HIS

PRO

SER

PHE

ILE

ALA

ILE

PRO

11

LYS

ILE

GLN

ASP

LYS

ILE

PRO

12

THR

ILE

GLY

SER

HIS

13

HIS

Samples:

sample_1: RL2, [U-98% 13C; U-98% 15N], 1 mM; TCEP 10 mM; sodium acetate 20 mM; DSS 75 uM

sample_conditions_1: ionic strength: 20 mM; pH: 3.9; pressure: 1 atm; temperature: 293.2 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	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 CBCANH	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY-HSQC	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

CCPNMR v2.4.2, CCPN - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz

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