BMRB Entry 16074

Name: Solution structure of micelle-bound kalata B2
Published: 2009-09-04

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PDB ID: 2kch
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16074
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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:

Solution structure of micelle-bound kalata B2

Deposition date:

2008-12-21

Original release date:

2009-09-04

Authors:

Wang, Conan

Citation:

Citation: Wang, Conan; Colgrave, Michelle; Ireland, David; Kaas, Quentin; Craik, David. "Despite a conserved cystine knot motif, different cyclotides have different membrane binding modes" Biophys. J. 97, 1471-1481 (2009).
PubMed: 19720036

Assembly members:

Assembly members:
kalata B2, polymer, 29 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Viola odorata Taxonomy ID: 97441 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Viola odorata

Experimental source:

Experimental source: Production method: purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
kalata B2: CGETCFGGTCNTPGCSCTWP ICTRDGLPV

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	163

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	kalata B2	1

Entities:

Entity 1, kalata B2 29 residues - Formula weight is not available

1

CYS

GLY

GLU

THR

CYS

PHE

GLY

THR

CYS

2

ASN

THR

PRO

GLY

CYS

SER

CYS

THR

TRP

PRO

3

ILE

CYS

THR

ARG

ASP

GLY

LEU

PRO

VAL

Samples:

sample_1: entity 2 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 5; pressure: 1 atm; temperature: 313 K

Experiments:

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

Software:

CNS, Brunger A. T. et.al. - refinement

NMR spectrometers:

Bruker AMX 600 MHz