BMRB Entry 36427

Name: Protein complex between phosphorylated ubiquitin and Ubqln2 UBA
Published: 2023-07-02

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PDB ID: 7f7x
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36427
MolProbity Validation Chart

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Protein complex between phosphorylated ubiquitin and Ubqln2 UBA PubMed: 34356632

Deposition date: 2021-06-30 Original release date: 2023-07-02

Authors: Qin, L.; Dong, X.; Tang, C.

Citation: Qin, L.; Gong, Z.; Liu, K.; Dong, X.; Tang, C.. "Kinetic Constraints in the Specific Interaction between Phosphorylated Ubiquitin and Proteasomal Shuttle Factors." Biomolecules 11, 1008-1008 (2021).

Assembly members:
entity_1, polymer, 76 residues, 8656.811 Da.
entity_2, polymer, 45 residues, 4871.468 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 IQKEXTLHLVLRLRGG
entity_2: GPEVRFQQQLEQLNAMGFLN REANLQALIATGGDINAAIE RLLGS

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	295
15N chemical shifts	69
1H chemical shifts	449

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1
2	unit_2	2

Entities:

Entity 1, unit_1 76 residues - 8656.811 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

SEP

THR

LEU

HIS

LEU

VAL

8

LEU

ARG

LEU

ARG

GLY

Entity 2, unit_2 45 residues - 4871.468 Da.

1

GLY

PRO

GLU

VAL

ARG

PHE

GLN

LEU

2

GLU

GLN

LEU

ASN

ALA

MET

GLY

PHE

LEU

ASN

3

ARG

GLU

ALA

ASN

LEU

GLN

ALA

LEU

ILE

ALA

4

THR

GLY

ASP

ILE

ASN

ALA

ILE

GLU

5

ARG

LEU

GLY

SER

Samples:

sample_1: Polyubiquitin-B, [U-100% 12C; U-100% 14N], 0.75 mM; Ubiquilin-2, [U-100% 13C; U-100% 15N], 0.5 mM; HEPES 20 mM; sodium chloride 0.15 M; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 150 mM; pH: 7.4; pressure: 1 bar; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
filtered NOE	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

Software:

Amber, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

NMR spectrometers:

Bruker AVANCE III HD 600 MHz
Bruker AVANCE III 850 MHz

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