BMRB Entry 36146

Name: mBjAMP1 structure
Published: 2018-12-18

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PDB ID: 5z1y
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36146
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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:

mBjAMP1 structure

Deposition date:

2017-12-28

Original release date:

2018-12-18

Authors:

Nam, J.; Lee, C.

Citation:

Citation: Nam, Jiyong; Yun, Hyosuk; Rajasekaran, Ganesan; Kumar, S. Dinesh; Kim, Jae Il; Min, Hye Jung; Shin, Song Yub; Lee, Chul Won. "Structural and functional assessment of mBjAMP1, an antimicrobial peptide from Branchiostoma japonicum, revealed a novel alpha-hairpinin-like scaffold with membrane permeable and DNA binding activity." J. Med. Chem. 61, 11101-11113 (2018).
PubMed: 30475621

Assembly members:

Assembly members:
mBjAMP1 peptide, polymer, 21 residues, 2490.979 Da.

Natural source:

Natural source: Common Name: Florida lancelet Taxonomy ID: 7739 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Branchiostoma floridae

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
mBjAMP1 peptide: NLCASLRARHTIPQCRKFGR R

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	138

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 21 residues - 2490.979 Da.

1

ASN

LEU

CYS

ALA

SER

LEU

ARG

ALA

ARG

HIS

2

THR

ILE

PRO

GLN

CYS

ARG

LYS

PHE

GLY

ARG

3

ARG

Samples:

sample_1: peptides 2 mM; sodium chloride 50 mM; sodium phosphate 10 mM; H2O, natural abundace, 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 50 mM; pH: 6.0; pressure: 1 atm; temperature: 298.0 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:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation

Molmol, Koradi, Billeter and Wuthrich - chemical shift assignment

NMRView, Johnson, One Moon Scientific - peak picking

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

Bruker Avance 600 MHz