BMRB Entry 34313

Name: Nicomacin-1 -- Novel antimicrobial peptides from the Arctic polychaeta Nicomache minor provide new molecular insight into biological role of the BRICHOS domain
Published: 2018-11-02

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PDB ID: 6hn9
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34313
MolProbity Validation Chart

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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:

Nicomacin-1 -- Novel antimicrobial peptides from the Arctic polychaeta Nicomache minor provide new molecular insight into biological role of the BRICHOS domain

Deposition date:

2018-09-14

Original release date:

2018-11-02

Authors:

Panteleev, P.; Tsarev, A.; Bolosov, I.; Paramonov, A.; Marggraf, M.; Sychev, S.; Shenkarev, Z.; Ovchinnikova, T.

Citation:

Citation: Panteleev, Pavel; Tsarev, Andrey; Bolosov, Ilia; Paramonov, Alexander; Marggraf, Mariana; Sychev, Sergey; Shenkarev, Zakhar; Ovchinnikova, Tatiana. "Novel Antimicrobial Peptides from the Arctic Polychaeta" Mar. Drugs 16, E401-E401 (2018).
PubMed: 30360541

Assembly members:

Assembly members:
entity_1, polymer, 33 residues, 3544.132 Da.

Natural source:

Natural source: Common Name: Nicomache minor Taxonomy ID: 1441599 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Nicomache minor

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GFWSSVWDGAKNVGTAIIKN AKVCVYAVCVSHK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
13C chemical shifts	64
1H chemical shifts	225

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 33 residues - 3544.132 Da.

1

GLY

PHE

TRP

SER

VAL

TRP

ASP

GLY

ALA

2

LYS

ASN

VAL

GLY

THR

ALA

ILE

LYS

ASN

3

ALA

LYS

VAL

CYS

VAL

TYR

ALA

VAL

CYS

VAL

4

SER

HIS

LYS

Samples:

sample_1: Nicomacin 0.25 mM

sample_conditions_1: ionic strength: 20 mM; pH: 3.1; pressure: 1 atm; temperature: 318 K

Experiments:

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

Software:

CYANA v3.97, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

TOPSPIN, Bruker Biospin - collection

CARA, Keller and Wuthrich - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AvanceIII 600 MHz