BMRB Entry 51532

Name: NMR structure of DNAJA1 amino acids 1-107
Published: 2022-10-31

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PDB ID: 8e2o
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51532
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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:

NMR structure of DNAJA1 amino acids 1-107

Deposition date:

2022-07-26

Original release date:

2022-10-31

Authors:

Roth, Heidi; Powers, Robert

Citation:

Citation: Roth, Heidi; De Lima Leite, Aline; Palermo, Nick; Powers, Robert. "Leveraging the Structure of DNAJA1 to Discover Novel Potential Pancreatic Cancer Therapies" Biomolecules 12, 1391-1391 (2022).
PubMed: 36291603

Assembly members:

Assembly members:
entity_1, polymer, 99 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: pET15_NESG

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DVLGVKPNATQEELKKAYRK LALKYHPDKNPNEGEKFKQI SQAYEVLSDAKKRELYDKGG EQAIKEGGAGGGFGSPMDIF DMFFGGGGRMQRERRGKNV

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	420
15N chemical shifts	89
1H chemical shifts	587

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DNAJA1-107 monomer	1

Entities:

Entity 1, DNAJA1-107 monomer 99 residues - Formula weight is not available

1

ASP

VAL

LEU

GLY

VAL

LYS

PRO

ASN

ALA

THR

2

GLN

GLU

LEU

LYS

ALA

TYR

ARG

LYS

3

LEU

ALA

LEU

LYS

TYR

HIS

PRO

ASP

LYS

ASN

4

PRO

ASN

GLU

GLY

GLU

LYS

PHE

LYS

GLN

ILE

5

SER

GLN

ALA

TYR

GLU

VAL

LEU

SER

ASP

ALA

6

LYS

ARG

GLU

LEU

TYR

ASP

LYS

GLY

7

GLU

GLN

ALA

ILE

LYS

GLU

GLY

ALA

GLY

8

GLY

PHE

GLY

SER

PRO

MET

ASP

ILE

PHE

9

ASP

MET

PHE

GLY

ARG

MET

10

GLN

ARG

GLU

ARG

GLY

LYS

ASN

VAL

Samples:

sample_1: DNAJA1-107 monomer, [U-99% 13C; U-99% 15N], 1 mM; NaCl 100 mM; CaCl2 5 mM

sample_2: DNAJA1-107 monomer, [U-99% 13C; U-99% 15N], 1 mM; NaCl 100 mM; CaCl2 5 mM

sample_conditions_1: ionic strength: 105 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HCC(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D CC(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1

Software:

NMRPipe - processing

CcpNMR - chemical shift assignment

CS-Rosetta - structure solution

X-PLOR NIH - refinement

TOPSPIN - collection

NMR spectrometers:

Bruker AVANCE III 700 MHz

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