BMRB Entry 25827

Name: Backbone 1H, 13C, and 15N chemical shift assignments for metal-binding domain 1 of ATP7B
Published: 2016-03-28

Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25827

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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 metal-binding domain 1 of ATP7B

Deposition date:

2015-09-27

Original release date:

2016-03-28

Authors:

Yu, Corey; Lee, Woonghee; Dmitriev, Oleg

Citation:

Citation: Yu, Corey; Lee, Woonghee; Dmitriev, Oleg; Yu, Corey; Lee, Woonghee; Dmitriev, Oleg. "Metal-binding domain 1 of ATP7B" .

Assembly members:

Assembly members:
entity, polymer, 76 residues, 8122.508 Da.

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: pTYB12

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: AGHMQVATSTVRILGMTCQS CVKSIEDRISNLKGIISMKV SLEQGSATVKYVPSVVCLQQ VCHQIGDMGFEASIAE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	293
15N chemical shifts	72
1H chemical shifts	427

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 76 residues - 8122.508 Da.

1

ALA

GLY

HIS

MET

GLN

VAL

ALA

THR

SER

THR

2

VAL

ARG

ILE

LEU

GLY

MET

THR

CYS

GLN

SER

3

CYS

VAL

LYS

SER

ILE

GLU

ASP

ARG

ILE

SER

4

ASN

LEU

LYS

GLY

ILE

SER

MET

LYS

VAL

5

SER

LEU

GLU

GLN

GLY

SER

ALA

THR

VAL

LYS

6

TYR

VAL

PRO

SER

VAL

CYS

LEU

GLN

7

VAL

CYS

HIS

GLN

ILE

GLY

ASP

MET

GLY

PHE

8

GLU

ALA

SER

ILE

ALA

GLU

Samples:

sample_1: entity, [U-13C; U-15N], 0.5 mM; HEPES 50 mM; DSS 0.5 mM; TCEP 5 mM; D2O 10%

sample_conditions_1: ionic strength: 50 mM; pH: 7.4; pressure: 1 atm; temperature: 298 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 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 HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N 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

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CARA, Keller and Wuthrich - chemical shift assignment

PONDEROSA_C-S, PONDEROSA C/S (Woonghee Lee, Markley) - peak picking, refinement, structure solution

NMR spectrometers:

Bruker Avance 750 MHz

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