BMRB Entry 16022

Name: Tetramer of KIA7W peptide
Published: 2015-11-16

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16022

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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:

Tetramer of KIA7W peptide

Deposition date:

2008-11-06

Original release date:

2015-11-16

Authors:

Lopez-Alonso, Jorge; Pardo-Cea, Miguel; Lopez de la Osa, Jaime; Chakrabartty, Avijit; Gonzalez, Carlos; Laurents, Douglas

Citation:

Citation: Lopez-Alonso, Jorge; Pardo-Cea, Miguel; Lopez de la Osa, Jaime; Chakrabartty, Avijit; Gonzalez, Carlos; Laurents, Douglas. "Terminal amino acid in KIA7 determines its stability" .

Assembly members:

Assembly members:
KIA7W, polymer, 22 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
KIA7W: XAKAAAAAIKAIAAIIKAGG WX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	48
1H chemical shifts	154

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	KIA7W peptide, chain 1	1
2	KIA7W peptide, chain 2	1
3	KIA7W peptide, chain 3	1
4	KIA7W peptide, chain 4	1

Entities:

Entity 1, KIA7W peptide, chain 1 22 residues - Formula weight is not available

1

ACE

ALA

LYS

ALA

ILE

LYS

2

ALA

ILE

ALA

ILE

LYS

ALA

GLY

3

TRP

NH2

Samples:

H2O: KIA7W 3.9 mM; sodium chloride 200 mM; sodium acetate, [U-2H], 10 mM; D2O 100%

D2O: KIA7W 3.9 mM; sodium chloride 200 mM; sodium acetate, [U-2H], 10 mM; D2O 100%

sample_conditions_H2O: pH: 5.20; pressure: 1 atm; temperature: 288 K

sample_conditions_D2O: pH: 4.90; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C HSQC	H2O	isotropic	sample_conditions_H2O
2D 1H-1H TOCSY	H2O	isotropic	sample_conditions_H2O
2D 1H-1H NOESY	H2O	isotropic	sample_conditions_H2O
2D 1H-1H TOCSY	D2O	isotropic	sample_conditions_D2O

Software:

TOPSPIN, Bruker Biospin - processing

SPARKY, Goddard - chemical shift assignment

DYANA, Guntert, Braun and Wuthrich - structure solution

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - refinement

NMR spectrometers:

Bruker Avance 800 MHz