BMRB Entry 15392

Name: Tetrameric structure of KIA7F peptide
Published: 2008-03-13

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PDB ID: 2jo5
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15392
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Tetrameric structure of KIA7F peptide PubMed: 17855563

Deposition date: 2007-07-19 Original release date: 2008-03-13

Authors: lopez de la Osa, Jaime; Gonzalez, Carlos; Laurents, Douglas; Chakrabartty, Avijit; Bateman, David

Citation: Lopez de la Osa, Jaime; Bateman, David; Ho, S.; Gonzalez, Carlos; Chakrabartty, Avijit; Laurents, Douglas. "Getting specificity from simplicity in putative proteins from the prebiotic earth." Proc. Natl. Acad. Sci. U.S.A. 104, 14941-14946 (2007).

Assembly members:
KIA7F, polymer, 22 residues, 1853.298 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):
KIA7F: XAKAAAAAIKAIAAIIKAGG FX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	141

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	KIA7F peptide, chain 1	1
2	KIA7F peptide, chain 2	1
3	KIA7F peptide, chain 3	1
4	KIA7F peptide, chain 4	1

Entities:

Entity 1, KIA7F peptide, chain 1 22 residues - 1853.298 Da.

1

ACE

ALA

LYS

ALA

ILE

LYS

2

ALA

ILE

ALA

ILE

LYS

ALA

GLY

3

PHE

NH2

Samples:

KIA7F_sample: sodium acetate 10 mM; sodium chloride 200 mM; DSS 0.005 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 5.0; pressure: 1 atm; temperature: 278.15 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	KIA7F_sample	isotropic	sample_conditions_1
2D 1H-1H TOCSY	KIA7F_sample	isotropic	sample_conditions_1
2D DQF-COSY	KIA7F_sample	isotropic	sample_conditions_1

Software:

DYANA v1.5, Guntert, Braun and Wuthrich - structure solution

AMBER v7.0, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll - refinement

NMR spectrometers:

Bruker DMX 600 MHz
Bruker Avance 800 MHz