BMRB Entry 20009

Name: NMR STRUCTURE OF THE MUTANT OF CHIGNOLIN, CLN025
Published: 2008-12-30

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PDB ID: 2rvd
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20009
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR STRUCTURE OF THE MUTANT OF CHIGNOLIN, CLN025 PubMed: 18950166

Deposition date: 2008-01-29 Original release date: 2008-12-30

Authors: KATO, Yusuke; ISHIMURA, Miyuki; HONDA, Shinya

Citation: HONDA, Shinya; AKIBA, Toshihiko; KATO, Yusuke; SAWADA, Yoshito; SEKIJIMA, Masakazu; ISHIMURA, Miyuki; OOISHI, Ayako; WATANABE, Hideki; ODAHARA, Takayuki; HARATA, Kazuaki. "Crystal structure of a ten-amino acid protein" J. Am. Chem. Soc. 130, 15327-15331 (2008).

Assembly members:
CLN025, polymer, 10 residues, 1294.336 Da.

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
CLN025: YYDPETGTWY

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	66

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CLN025	1

Entities:

Entity 1, CLN025 10 residues - 1294.336 Da.

Mutant of Cignolin, CLN025

1

TYR

ASP

PRO

GLU

THR

GLY

THR

TRP

TYR

Samples:

sample_1: CLN025 2 mM; sodium phosphate 20 mM; sodium azide 0.02%; DSS 0.01%; H2O 95%; D2O 5%

sample_conditions_1: pH: 5.7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H ROESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

ProcheckNMR, Laskowski and MacArthur - data analysis

VNMR, Varian - collection

NMR spectrometers:

Varian INOVA 600 MHz