BMRB Entry 15323

Name: Solution structure of Manduca sexta moricin
Published: 2008-02-29

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PDB ID: 2jr8
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15323
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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 Manduca sexta moricin

Deposition date:

2007-06-21

Original release date:

2008-02-29

Authors:

Gong, Yuxi; Dai, Huaien; Rayaprolu, Subrahmanyam; Huang, Rudan; Prakash, Om; Jiang, Haobo

Citation:

Citation: Dai, Huaien; Rayaprolu, Subrahmanyam; Gong, Yuxi; Huang, Rudan; Prakash, Om; Jiang, Haobo. "Solution structure, antibacterial activity, and expression profile of Manduca sexta moricin" J. Pept. Sci. 14, 855-863 (2008).
PubMed: 18265434

Assembly members:

Assembly members:
moricin, polymer, 42 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Manduca sexta Taxonomy ID: 7130 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Manduca sexta

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
moricin: GKIPVKAIKQAGKVIGKGLR AINIAGTTHDVVSFFRPKKK KH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	263

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	moricin	1

Entities:

Entity 1, moricin 42 residues - Formula weight is not available

1

GLY

LYS

ILE

PRO

VAL

LYS

ALA

ILE

LYS

GLN

2

ALA

GLY

LYS

VAL

ILE

GLY

LYS

GLY

LEU

ARG

3

ALA

ILE

ASN

ILE

ALA

GLY

THR

HIS

ASP

4

VAL

SER

PHE

ARG

PRO

LYS

5

LYS

HIS

Samples:

sample_1: moricin 2 mM; CD3OH 100%

sample_conditions_1: ionic strength: 20 mM; pH: 5.7; pressure: 1 atm; temperature: 283.15 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
2D DQF-COSY	sample_1	isotropic	sample_conditions_1

Software:

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

SPARKY v3.111, Goddard - data analysis

NMR spectrometers:

Varian UnityPlus 500 MHz