BMRB Entry 52365

Name: Chemical shifts, T1, T1rho, heteronuclear NOEs, RDCs of ubiquitin folding intermediate F&#039;
Published: 2024-03-29

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52365

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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:

Chemical shifts, T1, T1rho, heteronuclear NOEs, RDCs of ubiquitin folding intermediate F'

Deposition date:

2024-03-26

Original release date:

2024-03-29

Authors:

Adhada, Sri Teja; Sarma, Siddhartha

Citation:

Citation: Adhada, Sri Teja; Sarma, Siddhartha. "Slow Conformational Exchange between Partially Folded and Near-Native States of Ubiquitin: Evidence for a Multistate Folding Model" Biochemistry 63, 2565-2579 (2024).
PubMed: 39351677

Assembly members:

Assembly members:
entity_1, polymer, 77 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Japanese rice Taxonomy ID: 39947 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Oryza sativa

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21a(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MMQIFVKTLTGKTITLEVES SDTIDNVKAKIQDKEGIPPD QQRLIFAGKQLEDGRTLADY NIQKESTLHLVLRLRGG

Data sets:

RDCs
- RDCs_1
assigned_chemical_shifts
- assigned_chemical_shifts_1
heteronucl_NOEs
- heteronucl_NOEs_1
- heteronucl_NOEs_2
heteronucl_T1_relaxation
- heteronucl_T1_relaxation_1
- heteronucl_T1_relaxation_2
heteronucl_T1rho_relaxation
- heteronucl_T1rho_relaxation_1
- heteronucl_T1rho_relaxation_2

Data type	Count
13C chemical shifts	328
15N chemical shifts	82
1H chemical shifts	539
T1 relaxation values	148
T1rho relaxation values	148
heteronuclear NOE values	145

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Ubiquitin from Rice	1

Entities:

Entity 1, Ubiquitin from Rice 77 residues - Formula weight is not available

1

MET

GLN

ILE

PHE

VAL

LYS

THR

LEU

THR

2

GLY

LYS

THR

ILE

THR

LEU

GLU

VAL

GLU

SER

3

SER

ASP

THR

ILE

ASP

ASN

VAL

LYS

ALA

LYS

4

ILE

GLN

ASP

LYS

GLU

GLY

ILE

PRO

ASP

5

GLN

ARG

LEU

ILE

PHE

ALA

GLY

LYS

GLN

6

LEU

GLU

ASP

GLY

ARG

THR

LEU

ALA

ASP

TYR

7

ASN

ILE

GLN

LYS

GLU

SER

THR

LEU

HIS

LEU

8

VAL

LEU

ARG

LEU

ARG

GLY

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_3	isotropic	sample_conditions_1
T1/R1 relaxation	sample_2	isotropic	sample_conditions_1
T1rho/R1rho relaxation	sample_2	isotropic	sample_conditions_1
1H-15N heteronoe	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_3	isotropic	sample_conditions_1
3D HNCO	sample_3	isotropic	sample_conditions_1
3D HNCACB	sample_3	isotropic	sample_conditions_1
3D HN(CA)CO	sample_3	isotropic	sample_conditions_1
3D H(CCO)NH	sample_3	isotropic	sample_conditions_1
3D C(CO)NH	sample_3	isotropic	sample_conditions_1
3D 15N-separated NOESY	sample_3	isotropic	sample_conditions_1
3D 13C-separated NOESY	sample_3	isotropic	sample_conditions_1
2D 1H-15N IPAP HSQC	sample_3	anisotropic	sample_conditions_1
2D 1H-15N IPAP HSQC	sample_3	isotropic	sample_conditions_1
1D 1H DOSY	sample_3	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_2	isotropic	sample_conditions_1
T1/R1 relaxation	sample_3	isotropic	sample_conditions_1
T1rho/R1rho relaxation	sample_3	isotropic	sample_conditions_1
1H-15N heteronoe	sample_3	isotropic	sample_conditions_1
3D HNCO LRA	sample_3	isotropic	sample_conditions_1
3D HNHA	sample_2	isotropic	sample_conditions_1

BMRB Entry 52365

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

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