BMRB Entry 34847

Name: NMR solution structure of C-terminal domain of CDNF
Published: 2024-09-05

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PDB ID: 8qaj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34847
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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 solution structure of C-terminal domain of CDNF

Deposition date:

2023-08-22

Original release date:

2024-09-05

Authors:

Tossavainen, H.; Permi, P.

Citation:

Citation: Tossavainen, H.; Permi, P.. "NMR solution structure of C-terminal domain of CDNF" .

Assembly members:

Assembly members:
entity_1, polymer, 65 residues, 7472.620 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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSHMKYEKTLDLASVDLRKM RVAELKQILHSWGEECRACA EKTDYVNLIQELAPKYAATH PKTEL

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	43
15N chemical shifts	6
1H chemical shifts	62

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 65 residues - 7472.620 Da.

1

GLY

SER

HIS

MET

LYS

TYR

GLU

LYS

THR

LEU

2

ASP

LEU

ALA

SER

VAL

ASP

LEU

ARG

LYS

MET

3

ARG

VAL

ALA

GLU

LEU

LYS

GLN

ILE

LEU

HIS

4

SER

TRP

GLY

GLU

CYS

ARG

ALA

CYS

ALA

5

GLU

LYS

THR

ASP

TYR

VAL

ASN

LEU

ILE

GLN

6

GLU

LEU

ALA

PRO

LYS

TYR

ALA

THR

HIS

7

PRO

LYS

THR

GLU

LEU

Samples:

sample_1: C-CDNF, [U-13C; U-15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM

sample_conditions_1: ionic strength: 0.15 M; 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 aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
3D HN(COCA)CB	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HCACO	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
2D (HB)CB(CGCD)HD	sample_1	isotropic	sample_conditions_1
2D (HB)CB(CGCDCE)HE	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D HCCmHm-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1

Software:

TopSpin, Bruker Biospin - collection

CcpNmr Analysis, CCPN - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

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

NMR spectrometers:

Varian INOVA 600 MHz
Varian INOVA 800 MHz

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