BMRB Entry 25212

Name: High-resolution NMR structure of the protegrin-2 docked to DPC Micelles
Published: 2014-12-08

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PDB ID: 2muh
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25212
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: High-resolution NMR structure of the protegrin-2 docked to DPC Micelles PubMed: 25430060

Deposition date: 2014-09-10 Original release date: 2014-12-08

Authors: Filippov, Andrey; Efimov, Sergey; Klochkov, Vladimir; Antzutkin, Oleg; Usachev, Konstantin

Citation: Usachev, Konstantin; Efimov, Sergey; Kolosova, A.; Filippov, Andrey; Klochkov, Vladimir. "High-resolution NMR structure of the antimicrobial peptide protegrin-2 docked to DPC Micelles" J. Biomol. NMR 61, 227-234 (2015).

Assembly members:
PG-2, polymer, 16 residues, 1952.423 Da.

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
PG-2: RGGRLCYCRRRFCVCV

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	107

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PG-2	1

Entities:

Entity 1, PG-2 16 residues - 1952.423 Da.

1

ARG

GLY

ARG

LEU

CYS

TYR

CYS

ARG

2

ARG

PHE

CYS

VAL

CYS

VAL

Samples:

PG-2_sample: PG-2 4 mg; H2O 90%; D2O, [U-99% 2H], 10%; DPC, [U-99% 2H], 20 mg

sample_conditions_1: temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	PG-2_sample	isotropic	sample_conditions_1
2D 1H-1H TOCSY	PG-2_sample	isotropic	sample_conditions_1
2D 1H-1H COSY	PG-2_sample	isotropic	sample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - structure solution

Molmol, Koradi, Billeter and Wuthrich - data analysis

TOPSPIN, Bruker Biospin - processing

NMR spectrometers:

Bruker Avance 500 MHz