BMRB Entry 26055

Name: Solution Structure of BMAP-28(1-18)
Published: 2017-09-11

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PDB ID: 2ndc
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR26055
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution Structure of BMAP-28(1-18)

Deposition date: 2016-05-12 Original release date: 2017-09-11

Authors: Agadi, Nutan; Kumar, Ashutosh

Citation: Agadi, Nutan; Kumar, Ashutosh. "Structure, Function And Membrane Interaction Studies Of Two Synthetic Antimicrobial Peptides Using Solution And Solid State NMR." Not known ., .-..

Assembly members:
entity, polymer, 18 residues, 2065.533 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):
entity: GGLRSLGRKILRAWKKYG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	34
15N chemical shifts	7
1H chemical shifts	116

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 18 residues - 2065.533 Da.

1

GLY

LEU

ARG

SER

LEU

GLY

ARG

LYS

ILE

2

LEU

ARG

ALA

TRP

LYS

TYR

GLY

Samples:

sample_1: sodium phosphate 20 mM; D2O, [U-2H], 10%; H2O 90%; SDS, [U-99% 2H], 50 mM

sample_conditions_1: ionic strength: 0 M; pH: 6.6; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v3.2, Bruker Biospin - processing

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

ccpnmr, CCPN - chemical shift assignment

PSVS, Bhattacharya and Montelione - Validation

NMR spectrometers:

Bruker ASCEND 750 MHz
Bruker Avance 700 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts