BMRB Entry 30234

Name: Representative 1-conformer ensembles of K27-linked Ub2 from RDC data
Published: 2017-10-20

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PDB ID: 5ujl
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30234
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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: Representative 1-conformer ensembles of K27-linked Ub2 from RDC data PubMed: 26876099

Deposition date: 2017-01-18 Original release date: 2017-10-20

Authors: Castaneda, C.; Fushman, D.

Citation: Castaneda, C.; Dixon, E.; Walker, O.; Chaturvedi, A.; Nakasone, M.; Curtis, J.; Reed, M.; Krueger, S.; Cropp, T.; Fushman, D.. "Linkage via K27 Bestows Ubiquitin Chains with Unique Properties among Polyubiquitins." Structure 24, 423-436 (2016).

Assembly members:
entity_1, polymer, 76 residues, 8576.831 Da.

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
entity_1: MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2

Data type	Count
15N chemical shifts	140
1H chemical shifts	140

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1, 1	1
2	entity_1, 2	1

Entities:

Entity 1, entity_1, 1 76 residues - 8576.831 Da.

1

MET

GLN

ILE

PHE

VAL

LYS

THR

LEU

THR

GLY

2

LYS

THR

ILE

THR

LEU

GLU

VAL

GLU

PRO

SER

3

ASP

THR

ILE

GLU

ASN

VAL

LYS

ALA

LYS

ILE

4

GLN

ASP

LYS

GLU

GLY

ILE

PRO

ASP

GLN

5

GLN

ARG

LEU

ILE

PHE

ALA

GLY

LYS

GLN

LEU

6

GLU

ASP

GLY

ARG

THR

LEU

SER

ASP

TYR

ASN

7

ILE

GLN

LYS

GLU

SER

THR

LEU

HIS

LEU

VAL

8

LEU

ARG

LEU

ARG

GLY

Samples:

sample_1: K27-diubiquitin, Distal Ub is 15N-labelled Proximal Ub is not enriched, [U-99% 15N], 150 uM

sample_2: K27-diubiquitin, Distal Ub is not enriched Proximal Ub is 15N-labelled, [U-99% 15N], 150 uM

sample_conditions_1: ionic strength: 20 mM; pH: 6.8; pressure: 1 atm; temperature: 296 K

sample_conditions_2: ionic strength: 20 mM; pH: 6.8; pressure: 1 atm; temperature: 296 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	anisotropic	sample_conditions_2
2D 1H-15N HSQC	sample_2	anisotropic	sample_conditions_2

Software:

ARMOR v1.1, Berlin K, Castaneda CA, Fushman D. - refinement

SPARKY, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AvanceIII 800 MHz
Bruker AvanceIII 600 MHz

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