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PDB ID: 5zvn
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36190
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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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Name: Structure of [beta Glc-T9,K7]indolicidin, a glycosylated analogue of indolicidin
Published: 2026-03-26

Title:

Structure of [beta Glc-T9,K7]indolicidin, a glycosylated analogue of indolicidin

Deposition date:

2018-05-11

Original release date:

2026-03-26

Authors:

Dwivedi, R.; Aggarwal, P.; Kaur, K.; Bhavesh, N.

Citation:

Citation: Dwivedi, Rohini; Aggarwal, Priyanka; Bhavesh, Neel; Kaur, Kanwal. "Design of therapeutically improved analogue of the antimicrobial peptide, indolicidin, using a glycosylation strategy." Amino Acids 51, 1443-1460 (2019).
PubMed: 31485742

Assembly members:

Assembly members:
glycosylated analogue of Indolicidin, polymer, 14 residues, 1855.258 Da.
beta-D-glucopyranose, non-polymer, 180.156 Da.

Natural source:

Natural source: Common Name: cow Taxonomy ID: 9913 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bos taurus

Experimental source:

Experimental source: Production method: chemical synthesis Host organism: unidentified

Entity Sequences (FASTA):

Entity Sequences (FASTA):
glycosylated analogue of Indolicidin: ILPWKWKWTPWRRX

Data sets:

assigned_chemical_shifts
- starch_output

Data type	Count
1H chemical shifts	73

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	entity_BGC	2

Entities:

Entity 1, entity_1 14 residues - 1855.258 Da.

1

ILE

LEU

PRO

TRP

LYS

TRP

LYS

TRP

THR

PRO

2

TRP

ARG

NH2

Entity 2, entity_BGC - C6 H12 O6 - 180.156 Da.

1

BGC

Samples:

sample_1: Peptide 2 ± 0.005 mM; DPC-d38, [U-2H], 400 mM; phosphate buffer 10 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 0.03 mM; pH: 4.7; pressure: 1 atm; temperature: 310 K

Experiments:

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

Software:

CARA, Keller and Wuthrich - chemical shift assignment

CARA, Keller and Wuthrich - chemical shift calculation

TopSpin, Bruker Biospin - collection

CARA, Keller and Wuthrich - peak picking

CARA, Keller and Wuthrich - data analysis

Amber, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

NMR spectrometers:

Bruker AVANCE III 500.15 MHz

BMRB Entry 36190