BMRB Entry 25749

Name: C4VG16KRKP
Published: 2016-03-21

Click here to enlarge.

PDB ID: 2n63
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25749
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title: C4VG16KRKP PubMed: 26407061

Deposition date: 2015-08-11 Original release date: 2016-03-21

Authors: Bhunia, Anirban; Datta, Aritreyee

Citation: Datta, Aritreyee; Kundu, Pallob; Bhunia, Anirban. "Designing potent antimicrobial peptides by disulphide linked dimerization and N-terminal lipidation to increase antimicrobial activity and membrane perturbation: Structural insights into lipopolysaccharide binding" J. Colloid. Interface Sci. 461, 335-345 (2016).

Assembly members:
entity, polymer, 17 residues, 1896.363 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: XVARGWKRKCPLFGKGG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	101

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 17 residues - 1896.363 Da.

Residue 1 i.e. M corresponds to a 4 carbon long acyl chain (-CH2-CH2-CH2-CH3)

1

PTL

VAL

ALA

ARG

GLY

TRP

LYS

ARG

LYS

CYS

2

PRO

LEU

PHE

GLY

LYS

GLY

Samples:

sample_1: D2O 55.5 mM; H2O 55.5 mM; entity (C4VG16KRKP) 1 mM; TSP 0.5 mM

sample_conditions_1: ionic strength: 0 mM; pH: 4.5; pressure: 1 atm; temperature: 273 K

Experiments:

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

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure solution

NMR spectrometers:

Bruker Avance 500 MHz